data_1x5n_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 1x5n _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' ' ' GLU . . . . . . . . . . . . . 17.0 mt-10 . . . . . 0 N--CA 1.454 -0.257 0 N-CA-C 110.249 -0.278 . . . . 0.0 110.249 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -110.25 149.64 29.85 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.521 1.138 . . . . 0.0 109.275 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -101.99 119.71 39.24 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.479 1.112 . . . . 0.0 109.262 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -120.9 117.32 52.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.521 1.138 . . . . 0.0 109.261 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 20' ' ' PHE . . . . . 0.575 ' CE2' ' OG1' ' A' ' 92' ' ' THR . 0.1 OUTLIER -96.35 114.19 25.84 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.497 1.123 . . . . 0.0 110.998 179.99 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 21' ' ' ILE . . . . . 0.501 ' CD1' ' O ' ' A' ' 53' ' ' LEU . 8.6 mm -96.83 123.26 49.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.51 1.131 . . . . 0.0 109.28 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 22.4 t -111.16 123.74 50.8 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.522 1.139 . . . . 0.0 109.976 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 2.9 mm? . . . . . 0 C--N 1.324 -0.518 0 O-C-N 124.464 1.102 . . . . 0.0 109.266 -179.974 . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 30' ' ' GLY . . . . . 0.413 ' N ' ' HB2' ' A' ' 52' ' ' SER . . . . . . . . 0 CA--C 1.53 0.979 0 N-CA-C 111.005 -0.838 . . . . 0.0 111.005 . . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 21.8 p -110.67 149.21 30.78 Favored 'General case' 0 C--N 1.325 -0.461 0 N-CA-C 108.225 -1.028 . . . . 0.0 108.225 -179.916 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -100.36 140.42 34.63 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.464 1.102 . . . . 0.0 109.978 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 9.2 pt -113.66 145.66 19.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.483 1.114 . . . . 0.0 109.308 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -125.72 166.83 16.06 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.502 1.126 . . . . 0.0 110.038 179.973 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 16.7 p -109.14 126.77 53.58 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.5 1.125 . . . . 0.0 110.012 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -76.13 168.79 54.83 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.473 1.108 . . . . 0.0 110.983 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.04 -172.92 1.39 Allowed 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.51 1.795 . . . . 0.0 111.017 179.966 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 5.3 tt -71.65 -29.53 34.79 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.53 1.144 . . . . 0.0 109.307 -179.975 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 10.8 pt20 -77.44 -31.82 54.14 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.48 1.113 . . . . 0.0 110.282 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 40' ' ' LYS . . . . . 0.452 ' N ' ' HD3' ' A' ' 41' ' ' PRO . 25.3 tttp -137.79 62.43 34.44 Favored Pre-proline 0 C--N 1.326 -0.454 0 O-C-N 124.467 1.105 . . . . 0.0 109.346 179.949 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 41' ' ' PRO . . . . . 0.452 ' HD3' ' N ' ' A' ' 40' ' ' LYS . 18.4 Cg_endo -74.96 144.97 31.05 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.508 1.794 . . . . 0.0 110.999 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 156.69 -168.19 33.77 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.443 1.089 . . . . 0.0 111.022 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 6.9 mm -118.51 115.24 47.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.499 0.764 . . . . 0.0 109.294 179.96 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 44' ' ' PHE . . . . . 0.571 ' CD2' ' HB2' ' A' ' 64' ' ' GLN . 2.2 m-85 -121.65 147.59 45.67 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.45 1.094 . . . . 0.0 111.012 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 45' ' ' ILE . . . . . 0.417 HG23 ' N ' ' A' ' 46' ' ' SER . 19.3 mt -76.41 140.3 17.45 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.462 1.101 . . . . 0.0 109.318 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 46' ' ' SER . . . . . 0.417 ' N ' HG23 ' A' ' 45' ' ' ILE . 0.6 OUTLIER -105.49 -38.37 6.48 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.497 1.123 . . . . 0.0 109.996 179.991 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 60.4 t-80 -153.64 157.39 39.55 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.477 1.111 . . . . 0.0 109.595 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 52.7 t . . . . . 0 C--N 1.325 -0.475 0 O-C-N 124.519 1.137 . . . . 0.0 109.317 -179.996 . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 52' ' ' SER . . . . . 0.413 ' HB2' ' N ' ' A' ' 30' ' ' GLY . 34.7 p . . . . . 0 N--CA 1.453 -0.311 0 N-CA-C 110.007 -0.368 . . . . 0.0 110.007 . . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . 0.501 ' O ' ' CD1' ' A' ' 21' ' ' ILE . 0.1 OUTLIER -65.07 -19.99 66.26 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.535 1.147 . . . . 0.0 109.256 -179.964 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 54' ' ' SER . . . . . 0.465 ' O ' ' CG2' ' A' ' 57' ' ' VAL . 0.1 OUTLIER -94.55 -32.62 13.38 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.458 1.099 . . . . 0.0 110.01 -179.965 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -70.11 -35.5 74.18 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.507 1.129 . . . . 0.0 109.26 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . 0.432 ' HG3' ' N ' ' A' ' 57' ' ' VAL . 6.4 pt-20 -59.79 -37.03 77.95 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.48 1.113 . . . . 0.0 110.312 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 57' ' ' VAL . . . . . 0.465 ' CG2' ' O ' ' A' ' 54' ' ' SER . 29.7 m -81.83 -21.35 10.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.509 1.131 . . . . 0.0 109.312 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 94.82 28.6 9.97 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.518 1.136 . . . . 0.0 111.041 -179.954 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 59' ' ' LEU . . . . . 0.433 ' HG ' ' CG2' ' A' ' 57' ' ' VAL . 14.9 mt -69.22 141.42 54.48 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.486 0.756 . . . . 0.0 109.298 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 18.5 mt-10 -132.71 169.4 16.73 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.487 1.117 . . . . 0.0 110.323 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 80.5 mt -62.97 132.18 28.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.49 1.119 . . . . 0.0 109.293 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 116.64 -31.75 5.81 Favored Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.462 1.101 . . . . 0.0 111.032 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 75.3 m-20 -55.53 98.31 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.497 0.763 . . . . 0.0 109.308 179.93 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 64' ' ' GLN . . . . . 0.571 ' HB2' ' CD2' ' A' ' 44' ' ' PHE . 52.1 tt0 -83.13 130.51 35.12 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.49 1.119 . . . . 0.0 110.291 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 65' ' ' ILE . . . . . 0.622 ' CG2' ' CG2' ' A' ' 68' ' ' VAL . 19.0 mt -83.89 108.4 16.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.466 1.104 . . . . 0.0 109.289 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 9.3 m -98.1 -24.66 4.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.493 1.121 . . . . 0.0 109.32 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . 0.43 ' HG2' ' N ' ' A' ' 68' ' ' VAL . 29.7 tt0 -150.24 152.97 35.4 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.481 1.113 . . . . 0.0 110.264 -179.974 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 68' ' ' VAL . . . . . 0.622 ' CG2' ' CG2' ' A' ' 65' ' ' ILE . 98.9 t -152.26 112.09 0.41 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.482 1.114 . . . . 0.0 109.308 179.957 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 1.1 t-20 58.15 31.47 20.79 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.533 1.145 . . . . 0.0 109.329 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 81.22 22.42 60.82 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.477 1.111 . . . . 0.0 110.995 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 71' ' ' VAL . . . . . 0.489 ' CG2' ' O ' ' A' ' 68' ' ' VAL . 60.8 t -99.07 158.66 3.56 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.537 0.787 . . . . 0.0 109.297 179.972 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 72' ' ' ASP . . . . . 0.446 ' OD1' ' ND2' ' A' ' 75' ' ' ASN . 1.9 t70 -93.43 86.66 5.32 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.536 1.148 . . . . 0.0 109.351 179.968 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 73' ' ' PHE . . . . . 0.603 ' CD1' ' CD1' ' A' ' 76' ' ' LEU . 4.3 m-85 -93.41 16.99 12.14 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.511 1.132 . . . . 0.0 110.987 -179.977 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -88.6 -1.79 58.25 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.53 1.144 . . . . 0.0 110.03 179.96 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 75' ' ' ASN . . . . . 0.446 ' ND2' ' OD1' ' A' ' 72' ' ' ASP . 2.0 p30 -154.62 24.35 0.46 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.532 1.145 . . . . 0.0 109.305 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 76' ' ' LEU . . . . . 0.603 ' CD1' ' CD1' ' A' ' 73' ' ' PHE . 7.0 mt -78.45 -167.99 1.23 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.525 1.141 . . . . 0.0 109.255 -179.967 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 16.8 t70 -134.65 175.08 9.87 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.548 1.155 . . . . 0.0 109.262 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 78' ' ' HIS . . . . . . . . . . . . . 66.1 t-80 -73.27 -6.87 48.82 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.49 1.119 . . . . 0.0 109.626 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 15.6 mmtt -108.21 -37.57 5.99 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.482 1.114 . . . . 0.0 109.309 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 2.3 mm-40 -79.56 -36.31 38.47 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.536 1.148 . . . . 0.0 110.279 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 81' ' ' ALA . . . . . 0.413 ' O ' ' CG ' ' A' ' 85' ' ' LEU . . . -72.45 -29.01 63.29 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.483 1.114 . . . . 0.0 109.304 -179.968 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 82' ' ' VAL . . . . . 0.441 ' O ' ' N ' ' A' ' 86' ' ' LYS . 18.0 t -80.84 -45.14 21.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.474 1.109 . . . . 0.0 109.34 179.961 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 83' ' ' ASN . . . . . 0.411 ' O ' ' N ' ' A' ' 87' ' ' SER . 43.4 t30 -59.88 -46.24 89.96 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.481 1.113 . . . . 0.0 109.306 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 62.8 t -67.27 -34.44 69.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.471 1.107 . . . . 0.0 109.272 -179.951 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 85' ' ' LEU . . . . . 0.413 ' CG ' ' O ' ' A' ' 81' ' ' ALA . 23.6 mt -73.02 -34.9 66.63 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.506 1.129 . . . . 0.0 109.337 179.979 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 86' ' ' LYS . . . . . 0.441 ' N ' ' O ' ' A' ' 82' ' ' VAL . 0.0 OUTLIER -90.64 -3.74 57.3 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.491 1.119 . . . . 0.0 109.316 179.966 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 87' ' ' SER . . . . . 0.411 ' N ' ' O ' ' A' ' 83' ' ' ASN . 36.8 t -56.78 -66.05 0.51 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.477 1.11 . . . . 0.0 109.981 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -116.63 171.58 7.78 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.506 1.129 . . . . 0.0 109.981 -179.97 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 4.8 mmp_? -78.53 -60.71 2.26 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.465 1.103 . . . . 0.0 110.331 179.967 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 5.6 p -87.03 123.17 31.83 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.491 1.12 . . . . 0.0 110.028 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 1.1 mt -140.71 144.89 35.85 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.491 1.119 . . . . 0.0 109.26 -179.964 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 92' ' ' THR . . . . . 0.575 ' OG1' ' CE2' ' A' ' 20' ' ' PHE . 9.6 m -100.81 101.58 12.46 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.481 1.113 . . . . 0.0 110.437 179.954 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 93' ' ' ILE . . . . . 0.413 ' CD1' HG13 ' A' ' 21' ' ' ILE . 14.2 mt -89.66 135.07 27.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.5 1.125 . . . . 0.0 109.265 -179.925 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -114.35 100.96 8.71 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.522 1.139 . . . . 0.0 109.975 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 1.2 pt -100.4 167.3 2.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.482 1.114 . . . . 0.0 109.285 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 96' ' ' VAL . . . . . 0.483 ' O ' ' CG1' ' A' ' 96' ' ' VAL . 83.4 t -109.48 33.51 0.8 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.542 1.151 . . . . 0.0 109.272 -179.98 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 97' ' ' ALA . . . . . 0.415 ' O ' ' O ' ' A' ' 96' ' ' VAL . . . 44.33 94.02 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.467 1.104 . . . . 0.0 109.286 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 98' ' ' ALA . . . . . 0.468 ' CB ' ' HG3' ' A' ' 101' ' ' ARG . . . 48.59 57.94 5.77 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.509 1.131 . . . . 0.0 109.318 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 99' ' ' ALA . . . . . 0.466 ' CB ' ' HB ' ' A' ' 96' ' ' VAL . . . -62.32 -63.86 1.11 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.434 1.084 . . . . 0.0 109.296 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . -106.96 59.15 0.39 Allowed Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.505 1.128 . . . . 0.0 110.971 -179.978 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 101' ' ' ARG . . . . . 0.468 ' HG3' ' CB ' ' A' ' 98' ' ' ALA . 0.1 OUTLIER -71.98 -21.93 61.51 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.523 0.778 . . . . 0.0 110.34 180.0 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -75.57 -17.86 59.93 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.512 1.132 . . . . 0.0 110.281 179.978 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 103' ' ' LEU . . . . . 0.409 HD11 ' CE2' ' A' ' 44' ' ' PHE . 26.2 mt -66.82 -14.61 62.86 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.522 1.139 . . . . 0.0 109.276 -179.971 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 104' ' ' PHE . . . . . . . . . . . . . 82.0 m-85 . . . . . 0 C--N 1.326 -0.44 0 O-C-N 124.488 1.118 . . . . 0.0 111.002 -179.959 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 19.7 mt-10 . . . . . 0 N--CA 1.453 -0.29 0 N-CA-C 110.311 -0.255 . . . . 0.0 110.311 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -112.21 148.4 34.15 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.478 1.111 . . . . 0.0 109.284 -179.981 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -98.19 121.07 39.67 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.505 1.128 . . . . 0.0 109.288 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 19' ' ' VAL . . . . . 0.441 ' O ' ' N ' ' A' ' 93' ' ' ILE . 0.6 OUTLIER -126.13 127.06 70.57 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.562 1.164 . . . . 0.0 109.26 -179.985 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 20' ' ' PHE . . . . . 0.598 ' CE2' ' OG1' ' A' ' 92' ' ' THR . 0.1 OUTLIER -106.53 115.68 30.62 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.555 1.16 . . . . 0.0 111.006 179.971 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 21' ' ' ILE . . . . . 0.45 ' CG1' HD13 ' A' ' 93' ' ' ILE . 17.9 mm -95.36 107.87 20.16 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.522 1.139 . . . . 0.0 109.316 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 3.5 m -101.6 118.66 37.4 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.49 1.119 . . . . 0.0 109.968 -179.95 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 2.1 mp . . . . . 0 C--N 1.325 -0.482 0 O-C-N 124.484 1.115 . . . . 0.0 109.314 179.995 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.007 0 N-CA-C 110.971 -0.851 . . . . 0.0 110.971 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 23.9 p -109.38 146.48 34.36 Favored 'General case' 0 C--N 1.324 -0.514 0 N-CA-C 108.308 -0.997 . . . . 0.0 108.308 -179.977 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -100.97 138.42 38.03 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.548 1.155 . . . . 0.0 109.999 180.0 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 8.6 pt -110.45 145.43 16.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.512 1.132 . . . . 0.0 109.339 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 60.4 p -123.36 157.73 32.66 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.467 1.105 . . . . 0.0 109.986 -179.982 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 32.9 p -97.28 128.42 44.11 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.504 1.127 . . . . 0.0 110.013 179.964 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -78.59 167.46 53.02 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.507 1.129 . . . . 0.0 110.995 179.973 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 -170.0 0.71 Allowed 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.537 1.809 . . . . 0.0 111.016 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 0.8 OUTLIER -74.4 -30.49 26.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.526 1.141 . . . . 0.0 109.33 179.98 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 3.0 pt20 -78.15 -29.09 48.51 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.499 1.125 . . . . 0.0 110.288 -179.979 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 40' ' ' LYS . . . . . 0.468 ' N ' ' HD3' ' A' ' 41' ' ' PRO . 26.9 tttp -137.1 62.01 36.87 Favored Pre-proline 0 C--N 1.324 -0.511 0 O-C-N 124.529 1.143 . . . . 0.0 109.32 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 41' ' ' PRO . . . . . 0.468 ' HD3' ' N ' ' A' ' 40' ' ' LYS . 18.3 Cg_endo -74.91 145.71 32.15 Favored 'Trans proline' 0 C--N 1.361 1.188 0 O-C-N 124.467 1.772 . . . . 0.0 111.013 179.975 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 153.08 -155.79 26.34 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.496 1.122 . . . . 0.0 111.011 179.943 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 10.9 mm -129.14 118.69 47.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.559 0.8 . . . . 0.0 109.31 180.0 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 44' ' ' PHE . . . . . 0.566 ' CD2' ' HB2' ' A' ' 64' ' ' GLN . 1.8 m-85 -124.5 146.11 49.16 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.523 1.139 . . . . 0.0 111.011 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 45' ' ' ILE . . . . . 0.409 HG21 ' N ' ' A' ' 46' ' ' SER . 13.4 mt -74.64 137.57 22.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.52 1.137 . . . . 0.0 109.278 -179.987 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 46' ' ' SER . . . . . 0.409 ' N ' HG21 ' A' ' 45' ' ' ILE . 1.2 p -105.22 -36.91 7.08 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.507 1.129 . . . . 0.0 110.014 179.968 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 58.6 t-80 -153.94 153.17 31.54 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.52 1.138 . . . . 0.0 109.559 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 22.3 t . . . . . 0 C--N 1.326 -0.454 0 O-C-N 124.514 1.134 . . . . 0.0 109.274 179.995 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 87.1 p . . . . . 0 N--CA 1.452 -0.334 0 N-CA-C 110.029 -0.36 . . . . 0.0 110.029 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . 0.494 ' CD1' ' OE2' ' A' ' 56' ' ' GLU . 0.0 OUTLIER -77.96 -23.85 48.32 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.55 1.156 . . . . 0.0 109.299 179.987 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -94.23 -26.59 16.58 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.492 1.12 . . . . 0.0 110.013 179.979 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -75.01 -27.55 60.15 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.504 1.127 . . . . 0.0 109.277 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . 0.494 ' OE2' ' CD1' ' A' ' 53' ' ' LEU . 6.4 pt-20 -70.62 -36.77 73.65 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.468 1.105 . . . . 0.0 110.348 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 57' ' ' VAL . . . . . 0.426 ' N ' ' HG3' ' A' ' 56' ' ' GLU . 18.1 m -82.01 -23.59 9.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.528 1.142 . . . . 0.0 109.264 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 99.61 20.28 17.64 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.536 1.148 . . . . 0.0 111.018 -179.96 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 59' ' ' LEU . . . . . 0.466 ' CD2' HD11 ' A' ' 95' ' ' ILE . 13.7 mt -69.62 137.81 52.57 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.492 0.76 . . . . 0.0 109.274 179.991 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 24.7 mt-10 -133.66 173.13 11.85 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.474 1.109 . . . . 0.0 110.315 179.966 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 62.0 mt -59.6 133.96 24.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.54 1.15 . . . . 0.0 109.268 -179.967 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 62' ' ' GLY . . . . . 0.423 ' HA3' ' CG ' ' A' ' 101' ' ' ARG . . . 114.18 -34.08 5.12 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.512 1.133 . . . . 0.0 111.036 180.0 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 75.5 m-20 -56.44 97.39 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.518 0.776 . . . . 0.0 109.29 179.945 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 64' ' ' GLN . . . . . 0.566 ' HB2' ' CD2' ' A' ' 44' ' ' PHE . 42.6 tt0 -83.32 134.0 34.94 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.529 1.143 . . . . 0.0 110.325 179.97 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 65' ' ' ILE . . . . . 0.611 ' CG2' ' CG2' ' A' ' 68' ' ' VAL . 11.7 mt -87.73 110.27 20.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.552 1.157 . . . . 0.0 109.255 -179.955 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 17.9 m -99.72 -22.2 4.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.452 1.095 . . . . 0.0 109.291 179.974 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . 0.433 ' HG2' ' N ' ' A' ' 68' ' ' VAL . 30.8 tt0 -154.02 152.54 30.64 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.459 1.099 . . . . 0.0 110.293 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 68' ' ' VAL . . . . . 0.611 ' CG2' ' CG2' ' A' ' 65' ' ' ILE . 94.3 t -151.44 117.54 0.67 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.535 1.147 . . . . 0.0 109.298 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 1.2 t-20 56.41 20.86 5.04 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.544 1.153 . . . . 0.0 109.294 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 92.85 11.55 58.87 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.482 1.113 . . . . 0.0 111.047 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 71' ' ' VAL . . . . . 0.425 ' CG2' ' O ' ' A' ' 68' ' ' VAL . 54.6 t -87.37 154.34 3.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.491 0.759 . . . . 0.0 109.335 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 72' ' ' ASP . . . . . 0.421 ' N ' HG11 ' A' ' 71' ' ' VAL . 0.2 OUTLIER -89.9 91.1 8.46 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.517 1.136 . . . . 0.0 109.269 -179.983 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 73' ' ' PHE . . . . . 0.578 ' CE1' ' HB ' ' A' ' 68' ' ' VAL . 4.6 m-85 -94.84 12.29 28.6 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.509 1.13 . . . . 0.0 111.012 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -73.65 -25.46 60.29 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.535 1.147 . . . . 0.0 110.007 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 55.7 m-80 -142.22 50.9 1.49 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.526 1.141 . . . . 0.0 109.32 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 76' ' ' LEU . . . . . 0.574 HD11 ' CD1' ' A' ' 73' ' ' PHE . 6.2 mt -94.49 -166.65 1.52 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.503 1.127 . . . . 0.0 109.309 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 21.0 t70 -132.06 170.48 14.89 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.476 1.11 . . . . 0.0 109.32 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 78' ' ' HIS . . . . . . . . . . . . . 65.2 t-80 -71.99 -6.83 44.95 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.525 1.141 . . . . 0.0 109.623 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 8.1 mmtt -108.12 -36.03 6.42 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.5 1.125 . . . . 0.0 109.287 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 2.8 mm-40 -79.67 -38.75 32.9 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.528 1.142 . . . . 0.0 110.296 179.968 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -70.31 -25.12 63.17 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.477 1.111 . . . . 0.0 109.332 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 24.6 t -86.55 -40.09 13.9 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.466 1.104 . . . . 0.0 109.303 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 83' ' ' ASN . . . . . 0.472 ' HA ' ' CD ' ' A' ' 86' ' ' LYS . 12.1 t30 -64.91 -43.72 91.93 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.482 1.113 . . . . 0.0 109.256 -179.98 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 77.0 t -70.86 -27.78 31.49 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.544 1.152 . . . . 0.0 109.334 179.958 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 16.9 mt -80.97 -37.13 29.85 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.415 1.072 . . . . 0.0 109.302 179.978 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 86' ' ' LYS . . . . . 0.472 ' CD ' ' HA ' ' A' ' 83' ' ' ASN . 0.0 OUTLIER -89.46 -1.36 58.02 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.514 1.134 . . . . 0.0 109.281 -179.993 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -59.39 -65.77 0.62 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.543 1.152 . . . . 0.0 110.0 -179.978 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -119.48 172.16 7.84 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.528 1.142 . . . . 0.0 110.005 179.969 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 16.9 mmt180 -81.62 -60.47 2.24 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.567 1.167 . . . . 0.0 110.306 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -82.86 115.21 21.64 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.469 1.106 . . . . 0.0 110.024 179.969 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 91' ' ' LEU . . . . . 0.413 ' O ' ' CD1' ' A' ' 20' ' ' PHE . 1.2 mt -138.73 145.16 39.93 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.517 1.135 . . . . 0.0 109.316 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 92' ' ' THR . . . . . 0.598 ' OG1' ' CE2' ' A' ' 20' ' ' PHE . 31.9 m -101.5 100.98 11.49 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.512 1.133 . . . . 0.0 110.389 -179.972 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 93' ' ' ILE . . . . . 0.45 HD13 ' CG1' ' A' ' 21' ' ' ILE . 13.5 mt -89.51 135.01 27.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.462 1.101 . . . . 0.0 109.36 179.977 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -113.82 99.05 7.4 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.475 1.109 . . . . 0.0 110.019 -179.972 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 95' ' ' ILE . . . . . 0.466 HD11 ' CD2' ' A' ' 59' ' ' LEU . 1.3 pt -100.4 169.77 1.62 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.509 1.13 . . . . 0.0 109.283 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 96' ' ' VAL . . . . . 0.483 ' O ' ' CG1' ' A' ' 96' ' ' VAL . 78.3 t -109.7 32.74 0.91 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.521 1.138 . . . . 0.0 109.303 179.98 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . 45.21 93.79 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.482 1.114 . . . . 0.0 109.311 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 98' ' ' ALA . . . . . 0.476 ' CB ' ' HG3' ' A' ' 101' ' ' ARG . . . 49.55 56.79 7.31 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.52 1.138 . . . . 0.0 109.286 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 99' ' ' ALA . . . . . 0.441 ' CB ' ' HB ' ' A' ' 96' ' ' VAL . . . -60.34 -69.85 0.2 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.519 1.137 . . . . 0.0 109.33 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . -101.52 57.91 0.66 Allowed Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.502 1.126 . . . . 0.0 110.987 179.972 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 101' ' ' ARG . . . . . 0.476 ' HG3' ' CB ' ' A' ' 98' ' ' ALA . 0.0 OUTLIER -70.0 -25.48 63.62 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.484 0.755 . . . . 0.0 110.269 -179.995 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -70.33 -21.53 62.9 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.488 1.118 . . . . 0.0 110.329 179.965 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 103' ' ' LEU . . . . . 0.543 HD13 ' CE2' ' A' ' 44' ' ' PHE . 60.5 mt -61.22 -21.36 63.79 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.48 1.112 . . . . 0.0 109.338 -179.983 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 104' ' ' PHE . . . . . . . . . . . . . 78.4 m-85 . . . . . 0 C--N 1.325 -0.478 0 O-C-N 124.461 1.1 . . . . 0.0 110.987 -179.989 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 17.6 mt-10 . . . . . 0 N--CA 1.453 -0.309 0 N-CA-C 110.298 -0.26 . . . . 0.0 110.298 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -115.01 143.7 44.77 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.432 1.082 . . . . 0.0 109.276 -179.99 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -90.21 123.39 33.98 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.499 1.125 . . . . 0.0 109.254 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 2.4 m -126.56 127.74 70.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.545 1.153 . . . . 0.0 109.3 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 20' ' ' PHE . . . . . 0.455 ' CD1' ' O ' ' A' ' 91' ' ' LEU . 0.1 OUTLIER -105.58 117.79 34.92 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.507 1.129 . . . . 0.0 111.011 -179.969 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 21' ' ' ILE . . . . . 0.408 ' CG1' HD11 ' A' ' 93' ' ' ILE . 11.8 mm -107.86 108.09 24.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.5 1.125 . . . . 0.0 109.275 -179.966 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 26.2 t -104.45 118.69 37.23 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.509 1.13 . . . . 0.0 110.008 179.966 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 3.3 mm? . . . . . 0 C--N 1.325 -0.48 0 O-C-N 124.528 1.142 . . . . 0.0 109.319 179.983 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.939 0 N-CA-C 111.022 -0.831 . . . . 0.0 111.022 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 31' ' ' CYS . . . . . 0.401 ' SG ' ' OG ' ' A' ' 54' ' ' SER . 29.7 p -102.93 148.12 26.07 Favored 'General case' 0 C--N 1.325 -0.468 0 N-CA-C 108.289 -1.004 . . . . 0.0 108.289 -179.964 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -104.34 139.21 39.64 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.483 1.115 . . . . 0.0 110.02 -179.961 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 33' ' ' ILE . . . . . 0.47 HD13 ' CG2' ' A' ' 82' ' ' VAL . 13.9 pt -107.43 147.12 12.83 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.504 1.127 . . . . 0.0 109.288 -179.983 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 51.8 m -139.19 145.55 39.44 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.483 1.114 . . . . 0.0 109.998 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 72.4 m -88.95 137.89 31.91 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.537 1.148 . . . . 0.0 109.981 -179.961 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -77.97 178.35 52.45 Favored Glycine 0 CA--C 1.529 0.953 0 O-C-N 124.494 1.121 . . . . 0.0 111.048 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 -170.85 0.84 Allowed 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.463 1.77 . . . . 0.0 111.031 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 5.1 tt -73.9 -29.87 26.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.521 1.138 . . . . 0.0 109.272 -179.979 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 16.5 pt20 -77.83 -30.94 51.31 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.468 1.105 . . . . 0.0 110.26 -179.951 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 40' ' ' LYS . . . . . 0.462 ' N ' ' HD3' ' A' ' 41' ' ' PRO . 0.5 OUTLIER -136.64 62.01 39.76 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.557 1.161 . . . . 0.0 109.255 -179.964 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 41' ' ' PRO . . . . . 0.462 ' HD3' ' N ' ' A' ' 40' ' ' LYS . 18.4 Cg_endo -74.98 146.47 32.79 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.509 1.794 . . . . 0.0 111.025 179.954 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 156.09 -165.9 32.89 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.516 1.135 . . . . 0.0 110.992 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 23.5 mm -117.29 111.5 35.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.511 0.771 . . . . 0.0 109.327 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 44' ' ' PHE . . . . . 0.578 ' CD2' ' HB2' ' A' ' 64' ' ' GLN . 1.5 m-85 -124.15 140.05 53.34 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.511 1.132 . . . . 0.0 111.016 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 45' ' ' ILE . . . . . 0.409 HG23 ' N ' ' A' ' 46' ' ' SER . 12.3 mt -67.32 138.11 23.44 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.529 1.143 . . . . 0.0 109.316 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 46' ' ' SER . . . . . 0.409 ' N ' HG23 ' A' ' 45' ' ' ILE . 1.0 OUTLIER -100.58 -37.42 8.79 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.483 1.114 . . . . 0.0 109.96 -179.956 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 65.3 t-80 -150.91 164.11 37.09 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.501 1.126 . . . . 0.0 109.571 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 84.0 t . . . . . 0 C--N 1.324 -0.503 0 O-C-N 124.486 1.116 . . . . 0.0 109.306 -179.987 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 18.1 p . . . . . 0 N--CA 1.453 -0.281 0 N-CA-C 109.99 -0.374 . . . . 0.0 109.99 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . 0.499 ' O ' ' CG ' ' A' ' 56' ' ' GLU . 12.2 tp -87.26 -24.31 24.41 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.564 1.165 . . . . 0.0 109.308 179.959 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 54' ' ' SER . . . . . 0.401 ' OG ' ' SG ' ' A' ' 31' ' ' CYS . 0.0 OUTLIER -95.15 -29.77 14.38 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.492 1.12 . . . . 0.0 109.98 -179.989 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -71.78 -17.35 62.18 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.508 1.13 . . . . 0.0 109.278 -179.977 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . 0.499 ' CG ' ' O ' ' A' ' 53' ' ' LEU . 1.9 pt-20 -80.06 -34.21 38.33 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.524 1.14 . . . . 0.0 110.322 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 57' ' ' VAL . . . . . 0.47 ' CG2' ' HG ' ' A' ' 59' ' ' LEU . 18.9 m -81.31 -22.11 10.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.497 1.123 . . . . 0.0 109.332 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 104.62 20.65 9.88 Favored Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.479 1.112 . . . . 0.0 111.066 -179.937 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 59' ' ' LEU . . . . . 0.471 ' CD2' ' OD2' ' A' ' 63' ' ' ASP . 20.7 mt -71.71 144.58 49.26 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.453 0.737 . . . . 0.0 109.315 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 36.1 mt-10 -140.22 173.16 11.79 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.523 1.139 . . . . 0.0 110.298 179.982 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 15.8 mt -64.01 125.84 21.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.499 1.125 . . . . 0.0 109.301 -179.946 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 62' ' ' GLY . . . . . 0.44 ' O ' ' N ' ' A' ' 64' ' ' GLN . . . 120.03 -38.58 2.72 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.489 1.118 . . . . 0.0 110.988 179.974 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 63' ' ' ASP . . . . . 0.471 ' OD2' ' CD2' ' A' ' 59' ' ' LEU . 73.2 m-20 -43.99 96.94 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.47 0.747 . . . . 0.0 109.331 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 64' ' ' GLN . . . . . 0.578 ' HB2' ' CD2' ' A' ' 44' ' ' PHE . 49.0 tt0 -83.25 120.36 25.72 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.489 1.118 . . . . 0.0 110.289 -179.968 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 65' ' ' ILE . . . . . 0.6 ' CG2' ' CG2' ' A' ' 68' ' ' VAL . 38.9 mt -74.51 107.95 5.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.544 1.152 . . . . 0.0 109.301 179.974 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 15.7 m -96.46 -24.64 4.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.493 1.121 . . . . 0.0 109.296 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . 0.407 ' HG2' ' N ' ' A' ' 68' ' ' VAL . 30.4 tt0 -151.47 154.96 37.59 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.538 1.149 . . . . 0.0 110.243 -179.986 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 68' ' ' VAL . . . . . 0.6 ' CG2' ' CG2' ' A' ' 65' ' ' ILE . 95.7 t -152.28 124.29 1.08 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.478 1.111 . . . . 0.0 109.308 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 1.1 t-20 45.78 34.8 1.95 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.521 1.138 . . . . 0.0 109.332 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 75.23 34.61 50.98 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.529 1.143 . . . . 0.0 110.986 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 71' ' ' VAL . . . . . 0.502 ' CG2' ' O ' ' A' ' 68' ' ' VAL . 58.9 t -111.0 147.45 15.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.52 0.777 . . . . 0.0 109.292 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 1.7 t0 -81.88 86.99 6.41 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.539 1.149 . . . . 0.0 109.307 179.976 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 73' ' ' PHE . . . . . 0.597 ' CE1' ' HB ' ' A' ' 68' ' ' VAL . 3.8 m-85 -92.3 18.88 7.66 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.471 1.107 . . . . 0.0 111.006 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -73.78 -42.02 61.6 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.511 1.132 . . . . 0.0 109.99 -179.971 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -129.53 50.83 2.12 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.535 1.147 . . . . 0.0 109.258 -179.99 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 76' ' ' LEU . . . . . 0.589 ' CD1' ' CD1' ' A' ' 73' ' ' PHE . 5.9 mt -89.56 -166.3 1.56 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.522 1.139 . . . . 0.0 109.302 179.967 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 33.9 t70 -131.47 169.58 15.87 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.528 1.143 . . . . 0.0 109.278 -179.984 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 78' ' ' HIS . . . . . . . . . . . . . 58.8 t-80 -70.98 -7.02 43.2 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.464 1.102 . . . . 0.0 109.625 179.966 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -108.89 -37.53 5.83 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.498 1.124 . . . . 0.0 109.291 179.97 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 2.3 mt-10 -77.1 -37.9 53.34 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.529 1.143 . . . . 0.0 110.291 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -69.9 -27.7 65.01 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.496 1.123 . . . . 0.0 109.278 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 82' ' ' VAL . . . . . 0.47 ' CG2' HD13 ' A' ' 33' ' ' ILE . 45.4 t -88.1 -36.83 9.83 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.494 1.121 . . . . 0.0 109.301 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 41.2 t30 -64.71 -40.47 95.41 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.532 1.145 . . . . 0.0 109.334 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 77.9 t -74.47 -32.83 31.33 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.497 1.123 . . . . 0.0 109.312 179.968 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 18.7 mt -75.29 -38.03 60.56 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.44 1.087 . . . . 0.0 109.282 -179.977 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 86' ' ' LYS . . . . . 0.423 ' CE ' HG11 ' A' ' 82' ' ' VAL . 1.8 ptpt -86.06 -2.61 58.48 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.479 1.112 . . . . 0.0 109.301 -179.977 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 38.4 t -53.75 -68.48 0.17 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.478 1.111 . . . . 0.0 110.007 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -117.04 -173.51 2.41 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.537 1.148 . . . . 0.0 110.031 179.986 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 13.1 mmt85 -90.84 -53.38 4.42 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.491 1.119 . . . . 0.0 110.299 -179.965 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -88.84 113.56 24.51 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.471 1.107 . . . . 0.0 109.994 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 91' ' ' LEU . . . . . 0.455 ' O ' ' CD1' ' A' ' 20' ' ' PHE . 1.0 OUTLIER -134.02 147.54 50.97 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.527 1.142 . . . . 0.0 109.307 179.996 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 15.9 m -106.96 101.03 10.49 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.499 1.125 . . . . 0.0 110.358 -179.971 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 93' ' ' ILE . . . . . 0.408 HD11 ' CG1' ' A' ' 21' ' ' ILE . 14.0 mt -89.51 135.13 26.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.459 1.1 . . . . 0.0 109.333 179.963 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -112.95 101.23 9.29 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.525 1.141 . . . . 0.0 110.035 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 1.1 pt -100.5 169.32 1.7 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.527 0 O-C-N 124.491 1.12 . . . . 0.0 109.293 -179.985 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 96' ' ' VAL . . . . . 0.508 ' O ' ' CG1' ' A' ' 96' ' ' VAL . 70.5 t -114.05 34.88 0.96 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.505 1.128 . . . . 0.0 109.319 179.974 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 97' ' ' ALA . . . . . 0.406 ' O ' ' O ' ' A' ' 96' ' ' VAL . . . 46.76 94.84 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.552 1.157 . . . . 0.0 109.274 -179.98 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . 43.39 59.67 2.9 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.485 1.115 . . . . 0.0 109.279 179.944 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -61.41 -65.47 0.69 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.523 1.139 . . . . 0.0 109.32 179.961 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . -108.93 59.82 0.34 Allowed Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.517 1.136 . . . . 0.0 111.021 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -74.76 -17.36 60.65 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.45 0.735 . . . . 0.0 110.303 179.986 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 9.4 pt-20 -68.62 -34.46 75.8 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.477 1.111 . . . . 0.0 110.313 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 103' ' ' LEU . . . . . 0.408 HD13 ' CE2' ' A' ' 44' ' ' PHE . 81.3 mt -45.63 -38.27 6.48 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.488 1.118 . . . . 0.0 109.281 -179.988 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 104' ' ' PHE . . . . . . . . . . . . . 16.7 m-85 . . . . . 0 C--N 1.324 -0.522 0 O-C-N 124.525 1.141 . . . . 0.0 110.96 -179.968 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 22.3 mt-10 . . . . . 0 N--CA 1.453 -0.297 0 N-CA-C 110.338 -0.245 . . . . 0.0 110.338 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -113.58 140.89 47.8 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.523 1.139 . . . . 0.0 109.31 -179.978 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . 0.463 ' HD3' ' CG2' ' A' ' 92' ' ' THR . 6.0 ttmm -91.49 123.15 34.69 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.486 1.116 . . . . 0.0 109.276 -179.97 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -121.64 117.02 51.22 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.45 1.094 . . . . 0.0 109.317 179.962 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -94.26 115.27 27.5 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.523 1.14 . . . . 0.0 111.024 -179.973 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 21' ' ' ILE . . . . . 0.458 ' CG1' HD13 ' A' ' 93' ' ' ILE . 18.2 mm -109.03 110.5 32.33 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 O-C-N 124.491 1.12 . . . . 0.0 109.343 179.984 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 10.7 p -111.92 121.1 44.11 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.448 1.093 . . . . 0.0 109.965 -179.963 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 2.6 mm? . . . . . 0 C--N 1.325 -0.497 0 O-C-N 124.549 1.156 . . . . 0.0 109.302 179.979 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.933 0 N-CA-C 111.015 -0.834 . . . . 0.0 111.015 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 11.2 p -121.48 140.45 52.17 Favored 'General case' 0 C--N 1.325 -0.458 0 N-CA-C 108.341 -0.985 . . . . 0.0 108.341 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -94.97 141.87 28.14 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.533 1.146 . . . . 0.0 109.979 -179.972 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 8.2 pt -117.4 145.57 23.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.512 1.133 . . . . 0.0 109.308 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -130.88 169.57 15.59 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.51 1.131 . . . . 0.0 110.002 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 11.4 p -106.56 125.94 51.63 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.502 1.126 . . . . 0.0 110.001 179.982 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -70.79 172.13 43.68 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.492 1.12 . . . . 0.0 111.002 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.06 -172.43 1.26 Allowed 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.488 1.783 . . . . 0.0 111.008 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 0.7 OUTLIER -72.45 -30.02 33.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.456 1.098 . . . . 0.0 109.33 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 13.3 pt20 -77.83 -30.61 51.16 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.549 1.156 . . . . 0.0 110.337 179.95 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 40' ' ' LYS . . . . . 0.467 ' N ' ' HD3' ' A' ' 41' ' ' PRO . 5.3 tttt -136.62 61.82 38.91 Favored Pre-proline 0 C--N 1.324 -0.516 0 O-C-N 124.481 1.113 . . . . 0.0 109.291 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 41' ' ' PRO . . . . . 0.467 ' HD3' ' N ' ' A' ' 40' ' ' LYS . 18.0 Cg_endo -75.04 145.83 31.77 Favored 'Trans proline' 0 C--N 1.361 1.198 0 O-C-N 124.452 1.764 . . . . 0.0 110.949 -179.959 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 154.78 -158.32 28.21 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.511 1.132 . . . . 0.0 111.005 -179.987 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 12.2 mm -123.44 108.47 21.1 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 O-C-N 124.46 0.741 . . . . 0.0 109.276 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 44' ' ' PHE . . . . . 0.565 ' CD2' ' HB2' ' A' ' 64' ' ' GLN . 3.2 m-85 -118.36 139.33 51.53 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.534 1.146 . . . . 0.0 111.003 179.977 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 45' ' ' ILE . . . . . 0.52 ' O ' ' CZ ' ' A' ' 104' ' ' PHE . 19.9 mt -67.51 141.49 17.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.467 1.104 . . . . 0.0 109.3 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 46' ' ' SER . . . . . 0.473 ' HA ' ' CE2' ' A' ' 104' ' ' PHE . 0.7 OUTLIER -105.49 -37.19 6.89 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.544 1.153 . . . . 0.0 109.999 179.998 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 47' ' ' HIS . . . . . 0.417 ' ND1' ' N ' ' A' ' 48' ' ' VAL . 56.4 t-80 -152.87 165.38 35.62 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.478 1.111 . . . . 0.0 109.583 179.96 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 48' ' ' VAL . . . . . 0.417 ' N ' ' ND1' ' A' ' 47' ' ' HIS . 80.8 t . . . . . 0 C--N 1.325 -0.477 0 O-C-N 124.49 1.118 . . . . 0.0 109.324 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 76.8 p . . . . . 0 N--CA 1.453 -0.29 0 N-CA-C 109.977 -0.379 . . . . 0.0 109.977 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . 0.414 HD23 ' CG2' ' A' ' 21' ' ' ILE . 48.9 tp -89.66 -17.52 28.22 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.471 1.107 . . . . 0.0 109.307 -179.978 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 54' ' ' SER . . . . . 0.468 ' O ' ' CG2' ' A' ' 57' ' ' VAL . 0.0 OUTLIER -95.02 -38.77 10.49 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.465 1.103 . . . . 0.0 109.991 179.989 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -62.75 -30.31 71.34 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.531 1.144 . . . . 0.0 109.325 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . 0.426 ' HG3' ' N ' ' A' ' 57' ' ' VAL . 2.4 pt-20 -65.62 -33.27 75.5 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.546 1.154 . . . . 0.0 110.347 179.976 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 57' ' ' VAL . . . . . 0.468 ' CG2' ' O ' ' A' ' 54' ' ' SER . 8.0 m -84.38 -21.03 8.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.517 1.136 . . . . 0.0 109.28 179.971 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 105.37 20.55 9.53 Favored Glycine 0 CA--C 1.529 0.964 0 O-C-N 124.554 1.159 . . . . 0.0 111.014 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 59' ' ' LEU . . . . . 0.453 ' CD2' ' OD2' ' A' ' 63' ' ' ASP . 11.2 mt -71.89 139.17 48.67 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.503 0.766 . . . . 0.0 109.297 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 51.1 mt-10 -145.23 172.99 12.33 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.494 1.121 . . . . 0.0 110.298 -179.974 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 30.2 mt -61.75 129.59 24.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.472 1.108 . . . . 0.0 109.282 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 113.54 -29.04 8.14 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.478 1.111 . . . . 0.0 110.977 179.957 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 63' ' ' ASP . . . . . 0.453 ' OD2' ' CD2' ' A' ' 59' ' ' LEU . 9.0 m-20 -60.25 97.36 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.486 0.756 . . . . 0.0 109.274 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 64' ' ' GLN . . . . . 0.565 ' HB2' ' CD2' ' A' ' 44' ' ' PHE . 46.5 tt0 -83.19 131.3 35.12 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.446 1.091 . . . . 0.0 110.304 179.967 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 65' ' ' ILE . . . . . 0.58 ' CG2' ' CG2' ' A' ' 68' ' ' VAL . 59.8 mt -80.76 109.43 15.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.503 1.127 . . . . 0.0 109.315 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 12.7 m -98.15 -23.71 4.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.52 1.138 . . . . 0.0 109.294 -179.963 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . 0.42 ' HG2' ' N ' ' A' ' 68' ' ' VAL . 32.3 tt0 -153.52 153.45 32.45 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.465 1.103 . . . . 0.0 110.262 -179.963 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 68' ' ' VAL . . . . . 0.58 ' CG2' ' CG2' ' A' ' 65' ' ' ILE . 67.3 t -151.88 117.48 0.63 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.519 1.137 . . . . 0.0 109.314 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 2.0 t-20 57.15 18.29 4.04 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.525 1.141 . . . . 0.0 109.335 -179.955 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 95.81 5.12 60.05 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.497 1.123 . . . . 0.0 110.962 179.977 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 71' ' ' VAL . . . . . 0.404 HG12 ' N ' ' A' ' 72' ' ' ASP . 59.0 t -83.46 143.25 12.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.469 0.746 . . . . 0.0 109.348 179.952 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 72' ' ' ASP . . . . . 0.404 ' N ' HG12 ' A' ' 71' ' ' VAL . 2.2 t70 -80.43 87.9 5.63 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.512 1.133 . . . . 0.0 109.341 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 73' ' ' PHE . . . . . 0.583 ' CD1' ' CD1' ' A' ' 76' ' ' LEU . 2.9 m-85 -86.14 41.21 0.91 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.525 1.14 . . . . 0.0 111.021 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 3.3 t -82.84 -72.15 0.46 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.502 1.126 . . . . 0.0 109.957 -179.981 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 3.3 m-80 -103.95 47.11 0.89 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.469 1.106 . . . . 0.0 109.292 -179.976 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 76' ' ' LEU . . . . . 0.583 ' CD1' ' CD1' ' A' ' 73' ' ' PHE . 6.7 mt -80.44 -167.21 1.26 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.463 1.102 . . . . 0.0 109.299 179.968 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 31.9 t70 -134.68 170.87 15.17 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.494 1.121 . . . . 0.0 109.34 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 78' ' ' HIS . . . . . . . . . . . . . 60.2 t-80 -72.31 -5.54 36.88 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.507 1.129 . . . . 0.0 109.621 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 5.5 mttt -109.41 -36.39 6.01 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.489 1.118 . . . . 0.0 109.298 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 1.8 mm-40 -77.54 -36.83 51.92 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.482 1.114 . . . . 0.0 110.271 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -73.07 -29.71 63.15 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.474 1.109 . . . . 0.0 109.277 -179.986 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 82' ' ' VAL . . . . . 0.482 ' O ' ' N ' ' A' ' 86' ' ' LYS . 3.0 t -81.38 -46.75 20.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.446 1.091 . . . . 0.0 109.324 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 18.3 t30 -57.85 -41.18 81.83 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.494 1.121 . . . . 0.0 109.303 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 69.9 t -72.99 -31.0 33.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.49 1.119 . . . . 0.0 109.267 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 21.6 mt -77.17 -31.18 55.3 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.525 1.14 . . . . 0.0 109.266 -179.975 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 86' ' ' LYS . . . . . 0.482 ' N ' ' O ' ' A' ' 82' ' ' VAL . 8.3 ptpt -95.51 -2.59 48.28 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.487 1.117 . . . . 0.0 109.331 -179.976 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -53.56 -62.52 1.6 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.449 1.093 . . . . 0.0 109.984 -179.982 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 2.3 t -122.8 -178.67 4.0 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.536 1.147 . . . . 0.0 110.021 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 9.5 mmt180 -85.47 -56.33 3.57 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.547 1.155 . . . . 0.0 110.322 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -85.94 119.01 25.78 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.48 1.113 . . . . 0.0 109.984 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -136.63 148.95 47.72 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.533 1.145 . . . . 0.0 109.325 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 92' ' ' THR . . . . . 0.463 ' CG2' ' HD3' ' A' ' 18' ' ' LYS . 9.7 m -109.87 100.46 9.43 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.492 1.12 . . . . 0.0 110.394 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 93' ' ' ILE . . . . . 0.458 HD13 ' CG1' ' A' ' 21' ' ' ILE . 12.0 mt -89.19 137.9 20.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.467 1.104 . . . . 0.0 109.276 -179.981 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -119.75 101.06 7.63 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.497 1.123 . . . . 0.0 109.991 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 1.1 pt -100.27 169.82 1.6 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.5 1.125 . . . . 0.0 109.296 -179.979 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 96' ' ' VAL . . . . . 0.493 ' O ' ' CG1' ' A' ' 96' ' ' VAL . 73.4 t -109.11 31.81 0.99 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.481 1.113 . . . . 0.0 109.36 179.974 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 97' ' ' ALA . . . . . 0.411 ' O ' ' O ' ' A' ' 96' ' ' VAL . . . 44.97 94.26 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.493 1.121 . . . . 0.0 109.308 -179.978 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 98' ' ' ALA . . . . . 0.48 ' CB ' ' HG3' ' A' ' 101' ' ' ARG . . . 50.94 56.53 7.86 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.506 1.129 . . . . 0.0 109.324 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 99' ' ' ALA . . . . . 0.402 ' CB ' ' HB ' ' A' ' 96' ' ' VAL . . . -59.99 -75.46 0.06 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.467 1.104 . . . . 0.0 109.34 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . -96.39 55.93 1.46 Allowed Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.509 1.131 . . . . 0.0 111.023 179.944 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 101' ' ' ARG . . . . . 0.48 ' HG3' ' CB ' ' A' ' 98' ' ' ALA . 0.0 OUTLIER -65.7 -19.97 66.11 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.509 0.77 . . . . 0.0 110.31 179.997 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 1.8 pt-20 -75.9 -6.44 50.88 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.496 1.123 . . . . 0.0 110.307 179.959 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 103' ' ' LEU . . . . . 0.405 HD12 ' CD2' ' A' ' 44' ' ' PHE . 76.8 mt -82.44 -11.86 58.24 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.433 1.083 . . . . 0.0 109.304 -179.972 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 104' ' ' PHE . . . . . 0.52 ' CZ ' ' O ' ' A' ' 45' ' ' ILE . 21.1 m-85 . . . . . 0 C--N 1.325 -0.462 0 O-C-N 124.53 1.144 . . . . 0.0 110.972 179.988 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 20.1 mt-10 . . . . . 0 N--CA 1.454 -0.266 0 N-CA-C 110.264 -0.273 . . . . 0.0 110.264 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -111.21 144.12 40.88 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.482 1.113 . . . . 0.0 109.291 179.968 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . 0.407 ' HD3' ' CG2' ' A' ' 92' ' ' THR . 1.7 ttmm -97.85 119.52 36.6 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.498 1.124 . . . . 0.0 109.299 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 2.0 m -120.0 120.44 63.12 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.479 1.112 . . . . 0.0 109.319 179.966 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 20' ' ' PHE . . . . . 0.426 ' CD1' ' O ' ' A' ' 91' ' ' LEU . 0.1 OUTLIER -97.83 114.53 26.6 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.53 1.143 . . . . 0.0 110.978 -179.995 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 21' ' ' ILE . . . . . 0.504 ' CD1' ' O ' ' A' ' 53' ' ' LEU . 5.2 mm -102.95 125.74 57.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.534 1.146 . . . . 0.0 109.301 179.968 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 71.6 m -118.01 128.78 55.11 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.44 1.088 . . . . 0.0 110.027 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . 0.408 ' N ' HD22 ' A' ' 23' ' ' LEU . 4.5 mm? . . . . . 0 C--N 1.325 -0.471 0 O-C-N 124.489 1.118 . . . . 0.0 109.273 -179.974 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.001 0 N-CA-C 110.996 -0.842 . . . . 0.0 110.996 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 25.8 p -108.3 155.71 20.19 Favored 'General case' 0 C--N 1.325 -0.475 0 N-CA-C 108.293 -1.003 . . . . 0.0 108.293 -179.977 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -114.1 142.32 46.35 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.504 1.128 . . . . 0.0 109.96 -179.954 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 10.2 pt -110.27 145.24 17.0 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.51 1.131 . . . . 0.0 109.329 179.956 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 24.1 p -125.72 163.38 22.95 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.53 1.144 . . . . 0.0 110.03 179.978 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 61.8 p -94.74 142.99 26.82 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.478 1.111 . . . . 0.0 110.018 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -96.98 163.56 22.32 Favored Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.525 1.14 . . . . 0.0 110.995 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.97 -164.31 0.23 Allowed 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.429 1.752 . . . . 0.0 110.954 -179.983 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 0.8 OUTLIER -79.11 -31.1 14.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.526 1.141 . . . . 0.0 109.313 179.983 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 1.7 pt20 -79.75 -25.95 40.87 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.506 1.129 . . . . 0.0 110.319 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 40' ' ' LYS . . . . . 0.47 ' N ' ' HD3' ' A' ' 41' ' ' PRO . 0.0 OUTLIER -136.3 61.47 39.02 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.468 1.105 . . . . 0.0 109.297 -179.978 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 41' ' ' PRO . . . . . 0.47 ' HD3' ' N ' ' A' ' 40' ' ' LYS . 18.2 Cg_endo -75.03 147.06 33.3 Favored 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.44 1.758 . . . . 0.0 110.956 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 140.56 -162.07 26.58 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.492 1.12 . . . . 0.0 111.023 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 14.2 mm -117.76 130.68 72.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.525 0.779 . . . . 0.0 109.29 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 44' ' ' PHE . . . . . 0.58 ' CD2' ' HB2' ' A' ' 64' ' ' GLN . 1.3 m-85 -136.36 141.12 43.69 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.479 1.112 . . . . 0.0 111.003 -179.986 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 45' ' ' ILE . . . . . 0.412 HG23 ' N ' ' A' ' 46' ' ' SER . 18.3 mt -68.84 146.29 12.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.474 1.109 . . . . 0.0 109.289 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 46' ' ' SER . . . . . 0.412 ' N ' HG23 ' A' ' 45' ' ' ILE . 1.2 p -111.7 -36.88 5.34 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.52 1.138 . . . . 0.0 109.999 179.983 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 63.6 t-80 -151.86 159.3 43.9 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.485 1.116 . . . . 0.0 109.58 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 26.4 t . . . . . 0 C--N 1.326 -0.441 0 O-C-N 124.497 1.123 . . . . 0.0 109.285 -179.976 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 94.6 p . . . . . 0 N--CA 1.453 -0.306 0 N-CA-C 110.014 -0.365 . . . . 0.0 110.014 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . 0.504 ' O ' ' CD1' ' A' ' 21' ' ' ILE . 0.1 OUTLIER -58.21 -18.75 28.33 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.468 1.105 . . . . 0.0 109.285 -179.957 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 54' ' ' SER . . . . . 0.42 ' O ' ' CG2' ' A' ' 57' ' ' VAL . 0.3 OUTLIER -93.25 -34.37 13.59 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.496 1.122 . . . . 0.0 109.975 -179.991 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -71.97 -41.55 67.57 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.496 1.122 . . . . 0.0 109.286 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . 0.435 ' HG3' ' N ' ' A' ' 57' ' ' VAL . 8.2 pt-20 -54.41 -38.07 65.8 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.573 1.17 . . . . 0.0 110.286 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 57' ' ' VAL . . . . . 0.463 ' CG2' ' HG ' ' A' ' 59' ' ' LEU . 32.6 m -80.7 -26.38 11.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.464 1.102 . . . . 0.0 109.297 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 98.17 39.99 3.62 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.526 1.141 . . . . 0.0 111.023 -179.977 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 59' ' ' LEU . . . . . 0.463 ' HG ' ' CG2' ' A' ' 57' ' ' VAL . 20.8 mt -82.43 145.77 29.67 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.5 0.764 . . . . 0.0 109.32 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 35.9 mt-10 -136.16 162.27 33.41 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.544 1.152 . . . . 0.0 110.288 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 60.2 mt -57.09 129.59 19.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.536 1.147 . . . . 0.0 109.308 180.0 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 117.54 -34.31 4.58 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.477 1.11 . . . . 0.0 111.002 -179.994 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 82.2 m-20 -48.93 98.02 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.546 0.792 . . . . 0.0 109.294 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 64' ' ' GLN . . . . . 0.58 ' HB2' ' CD2' ' A' ' 44' ' ' PHE . 53.8 tt0 -83.0 128.13 34.19 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.509 1.131 . . . . 0.0 110.331 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 65' ' ' ILE . . . . . 0.582 ' CG2' ' CD2' ' A' ' 73' ' ' PHE . 68.0 mt -80.49 108.98 14.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.469 1.106 . . . . 0.0 109.343 179.971 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 14.1 m -97.56 -24.38 4.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.488 1.117 . . . . 0.0 109.25 -179.967 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . 0.417 ' HG2' ' N ' ' A' ' 68' ' ' VAL . 35.9 tt0 -151.86 154.16 35.61 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.494 1.121 . . . . 0.0 110.298 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 68' ' ' VAL . . . . . 0.576 ' CG2' ' CG2' ' A' ' 65' ' ' ILE . 99.5 t -152.32 114.42 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.499 1.125 . . . . 0.0 109.311 -179.975 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 1.2 t-20 57.08 20.68 5.71 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.531 1.145 . . . . 0.0 109.303 -180.0 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 97.16 -0.09 60.12 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.469 1.106 . . . . 0.0 111.005 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 71' ' ' VAL . . . . . 0.436 HG22 ' CG1' ' A' ' 84' ' ' VAL . 61.2 t -75.71 146.03 9.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.458 0.74 . . . . 0.0 109.303 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 4.2 t0 -85.51 87.87 7.45 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.54 1.15 . . . . 0.0 109.358 179.975 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 73' ' ' PHE . . . . . 0.582 ' CD2' ' CG2' ' A' ' 65' ' ' ILE . 3.3 m-85 -86.79 41.88 0.98 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.461 1.101 . . . . 0.0 110.984 -179.954 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 10.3 t -79.46 -67.32 0.77 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.444 1.09 . . . . 0.0 109.983 -179.961 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 6.5 p30 -113.8 49.48 0.98 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.454 1.096 . . . . 0.0 109.268 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 76' ' ' LEU . . . . . 0.581 ' CD1' ' CD1' ' A' ' 73' ' ' PHE . 7.1 mt -78.64 -167.7 1.17 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.475 1.109 . . . . 0.0 109.305 179.964 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 21.2 t70 -136.59 171.68 14.13 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.473 1.108 . . . . 0.0 109.314 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 78' ' ' HIS . . . . . . . . . . . . . 62.4 t-80 -71.9 -6.3 40.84 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.447 1.092 . . . . 0.0 109.646 179.972 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 5.3 mmtt -107.8 -36.28 6.44 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.502 1.126 . . . . 0.0 109.257 -179.97 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 2.1 mm-40 -79.32 -37.41 37.7 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.545 1.153 . . . . 0.0 110.288 -179.965 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -72.81 -26.48 61.52 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.508 1.13 . . . . 0.0 109.281 -179.98 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 82' ' ' VAL . . . . . 0.47 HG12 ' CE ' ' A' ' 86' ' ' LYS . 4.4 t -83.2 -44.33 18.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.536 1.147 . . . . 0.0 109.288 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 13.0 t30 -59.83 -44.88 93.82 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.453 1.096 . . . . 0.0 109.291 -179.952 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 84' ' ' VAL . . . . . 0.436 ' CG1' HG22 ' A' ' 71' ' ' VAL . 88.5 t -69.19 -28.12 37.62 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.478 1.111 . . . . 0.0 109.298 -179.988 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 17.6 mt -78.39 -39.67 38.38 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.522 1.139 . . . . 0.0 109.299 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 86' ' ' LYS . . . . . 0.47 ' CE ' HG12 ' A' ' 82' ' ' VAL . 4.7 ptpt -86.55 -1.92 58.04 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.56 1.163 . . . . 0.0 109.301 -179.986 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 2.2 t -52.99 -67.88 0.22 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.471 1.107 . . . . 0.0 109.99 179.968 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -119.66 -176.98 3.28 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.469 1.106 . . . . 0.0 110.015 179.983 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 5.2 mmt-85 -86.42 -55.19 4.01 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.483 1.114 . . . . 0.0 110.26 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 2.0 m -89.26 119.72 29.99 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.448 1.092 . . . . 0.0 110.004 -179.977 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 91' ' ' LEU . . . . . 0.426 ' O ' ' CD1' ' A' ' 20' ' ' PHE . 1.0 OUTLIER -137.34 148.22 46.13 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.485 1.116 . . . . 0.0 109.246 -179.995 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 92' ' ' THR . . . . . 0.407 ' CG2' ' HD3' ' A' ' 18' ' ' LYS . 2.8 m -106.58 101.32 10.78 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.488 1.117 . . . . 0.0 110.37 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 17.7 mt -89.3 137.22 21.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.495 1.122 . . . . 0.0 109.314 179.975 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -118.97 100.05 7.12 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.536 1.147 . . . . 0.0 109.98 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 1.2 pt -100.33 168.8 1.77 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.524 1.14 . . . . 0.0 109.31 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 96' ' ' VAL . . . . . 0.524 ' O ' ' CG1' ' A' ' 96' ' ' VAL . 75.9 t -111.44 34.29 0.85 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.56 1.162 . . . . 0.0 109.298 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 97' ' ' ALA . . . . . 0.411 ' O ' ' O ' ' A' ' 96' ' ' VAL . . . 47.09 95.27 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.475 1.109 . . . . 0.0 109.279 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 98' ' ' ALA . . . . . 0.437 ' CB ' ' HG3' ' A' ' 101' ' ' ARG . . . 44.29 59.61 3.18 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.472 1.108 . . . . 0.0 109.33 179.979 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -63.79 -76.38 0.07 Allowed 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.534 1.146 . . . . 0.0 109.285 -179.986 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . -89.66 49.14 3.37 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.478 1.111 . . . . 0.0 111.017 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 101' ' ' ARG . . . . . 0.437 ' HG3' ' CB ' ' A' ' 98' ' ' ALA . 0.0 OUTLIER -63.55 -35.92 82.07 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.552 0.795 . . . . 0.0 110.333 179.993 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 9.6 pt-20 -50.93 -31.14 16.75 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.502 1.126 . . . . 0.0 110.32 -179.987 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 103' ' ' LEU . . . . . 0.461 HD13 ' CE2' ' A' ' 44' ' ' PHE . 70.4 mt -54.23 -34.44 60.69 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.441 1.088 . . . . 0.0 109.287 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 104' ' ' PHE . . . . . . . . . . . . . 31.9 m-85 . . . . . 0 C--N 1.325 -0.48 0 O-C-N 124.536 1.147 . . . . 0.0 111.002 179.968 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 23.7 mt-10 . . . . . 0 N--CA 1.453 -0.313 0 N-CA-C 110.304 -0.258 . . . . 0.0 110.304 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -113.39 157.3 22.07 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.546 1.153 . . . . 0.0 109.321 179.974 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -109.21 123.55 49.43 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.409 1.068 . . . . 0.0 109.278 -179.98 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 0.6 OUTLIER -123.46 117.0 50.0 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.551 1.157 . . . . 0.0 109.271 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 20' ' ' PHE . . . . . 0.597 ' CE2' ' OG1' ' A' ' 92' ' ' THR . 0.2 OUTLIER -93.6 113.51 25.63 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.526 1.141 . . . . 0.0 111.041 179.937 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 21' ' ' ILE . . . . . 0.453 ' CG1' HD12 ' A' ' 93' ' ' ILE . 24.1 mm -96.53 119.44 44.59 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.505 1.128 . . . . 0.0 109.312 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 4.4 p -113.0 123.91 51.41 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.497 1.123 . . . . 0.0 110.027 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 4.4 mm? . . . . . 0 C--N 1.325 -0.467 0 O-C-N 124.491 1.119 . . . . 0.0 109.302 -179.968 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.029 0 N-CA-C 110.966 -0.854 . . . . 0.0 110.966 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 31' ' ' CYS . . . . . 0.401 ' SG ' ' OG ' ' A' ' 54' ' ' SER . 17.0 p -127.67 142.1 51.43 Favored 'General case' 0 C--N 1.324 -0.508 0 N-CA-C 108.292 -1.003 . . . . 0.0 108.292 179.969 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -101.86 137.68 39.84 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.508 1.13 . . . . 0.0 109.954 -179.973 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 5.5 pt -108.37 148.08 12.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.471 1.107 . . . . 0.0 109.348 179.967 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 24.1 m -138.64 142.87 39.06 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.509 1.13 . . . . 0.0 110.001 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 1.7 t -81.89 149.74 28.11 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.543 1.152 . . . . 0.0 110.031 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -92.7 174.72 36.46 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.536 1.148 . . . . 0.0 111.024 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.96 -172.31 1.22 Allowed 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.507 1.793 . . . . 0.0 110.982 -179.983 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 0.8 OUTLIER -72.46 -30.19 33.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.489 1.118 . . . . 0.0 109.336 179.945 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 12.3 pt20 -77.12 -31.02 55.48 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.483 1.114 . . . . 0.0 110.321 179.963 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 40' ' ' LYS . . . . . 0.459 ' N ' ' HD3' ' A' ' 41' ' ' PRO . 0.6 OUTLIER -137.45 62.11 35.03 Favored Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.514 1.134 . . . . 0.0 109.272 179.99 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 41' ' ' PRO . . . . . 0.459 ' HD3' ' N ' ' A' ' 40' ' ' LYS . 18.3 Cg_endo -75.04 146.39 32.47 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.509 1.794 . . . . 0.0 110.974 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 151.54 -166.21 30.67 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.522 1.139 . . . . 0.0 110.981 179.992 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 14.5 mm -114.21 118.74 59.35 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.529 0.782 . . . . 0.0 109.242 -179.949 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 44' ' ' PHE . . . . . 0.567 ' N ' ' CD1' ' A' ' 44' ' ' PHE . 1.5 m-85 -129.35 143.15 50.73 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.475 1.109 . . . . 0.0 110.967 179.98 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 45' ' ' ILE . . . . . 0.594 ' O ' ' CE2' ' A' ' 104' ' ' PHE . 5.4 mt -65.5 150.1 10.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.518 1.136 . . . . 0.0 109.328 179.934 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 1.1 p -119.27 -40.43 2.81 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.521 1.138 . . . . 0.0 110.017 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 44.4 t-80 -156.45 150.39 25.04 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.495 1.122 . . . . 0.0 109.606 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--N 1.326 -0.451 0 O-C-N 124.454 1.096 . . . . 0.0 109.294 -179.978 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 52' ' ' SER . . . . . 0.44 ' OG ' ' N ' ' A' ' 53' ' ' LEU . 3.3 p . . . . . 0 N--CA 1.453 -0.286 0 N-CA-C 110.012 -0.366 . . . . 0.0 110.012 . . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . 0.448 ' O ' ' CG ' ' A' ' 56' ' ' GLU . 0.0 OUTLIER -84.78 -19.71 32.17 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.479 1.112 . . . . 0.0 109.31 -179.973 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 54' ' ' SER . . . . . 0.441 ' CB ' ' HB2' ' A' ' 59' ' ' LEU . 0.7 OUTLIER -94.44 -39.85 10.22 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.475 1.109 . . . . 0.0 109.982 179.977 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -60.62 -32.62 71.76 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.49 1.119 . . . . 0.0 109.289 -179.979 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . 0.448 ' CG ' ' O ' ' A' ' 53' ' ' LEU . 0.9 OUTLIER -61.72 -32.78 73.03 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.492 1.12 . . . . 0.0 110.253 -179.955 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 57' ' ' VAL . . . . . 0.452 ' CG2' ' HG ' ' A' ' 59' ' ' LEU . 33.0 m -95.28 -3.05 10.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.52 1.137 . . . . 0.0 109.259 -179.953 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 79.85 27.3 53.99 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.457 1.098 . . . . 0.0 110.975 179.978 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 59' ' ' LEU . . . . . 0.452 ' HG ' ' CG2' ' A' ' 57' ' ' VAL . 9.9 mt -68.39 138.73 55.59 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.453 0.737 . . . . 0.0 109.306 179.976 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 39.8 mt-10 -135.65 170.86 15.31 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.537 1.148 . . . . 0.0 110.314 179.97 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 42.5 mt -62.12 137.17 24.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.491 1.119 . . . . 0.0 109.296 -179.982 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 62' ' ' GLY . . . . . 0.428 ' O ' ' N ' ' A' ' 64' ' ' GLN . . . 111.04 -41.65 2.18 Favored Glycine 0 CA--C 1.531 1.048 0 O-C-N 124.484 1.115 . . . . 0.0 110.973 179.986 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 81.4 m-20 -45.24 97.56 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.542 0.789 . . . . 0.0 109.315 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 64' ' ' GLN . . . . . 0.564 ' HB2' ' CD2' ' A' ' 44' ' ' PHE . 28.1 tt0 -82.87 134.82 35.08 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.491 1.12 . . . . 0.0 110.307 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 65' ' ' ILE . . . . . 0.603 ' CG2' ' CG2' ' A' ' 68' ' ' VAL . 16.4 mt -88.38 111.42 22.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.509 1.131 . . . . 0.0 109.255 -179.977 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 17.3 m -101.04 -21.64 5.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.516 1.135 . . . . 0.0 109.359 179.953 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . 0.423 ' HG2' ' N ' ' A' ' 68' ' ' VAL . 33.8 tt0 -151.92 152.46 32.57 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.537 1.148 . . . . 0.0 110.27 179.986 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 68' ' ' VAL . . . . . 0.603 ' CG2' ' CG2' ' A' ' 65' ' ' ILE . 97.7 t -152.25 119.58 0.7 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.514 1.134 . . . . 0.0 109.335 179.988 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 1.1 t-20 51.23 28.57 4.24 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.484 1.115 . . . . 0.0 109.321 -179.956 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 84.84 22.4 53.12 Favored Glycine 0 CA--C 1.529 0.959 0 O-C-N 124.497 1.123 . . . . 0.0 111.036 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 71' ' ' VAL . . . . . 0.491 ' CG2' ' O ' ' A' ' 68' ' ' VAL . 98.6 t -97.39 158.91 3.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.442 0.73 . . . . 0.0 109.331 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 1.8 t0 -94.47 85.18 4.48 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.545 1.153 . . . . 0.0 109.319 179.966 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 73' ' ' PHE . . . . . 0.602 ' CD1' ' CD1' ' A' ' 76' ' ' LEU . 3.8 m-85 -89.62 26.31 1.78 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.483 1.114 . . . . 0.0 111.026 179.979 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -79.35 -47.75 15.26 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.463 1.102 . . . . 0.0 110.014 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 2.0 p30 -124.32 48.55 1.91 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.469 1.106 . . . . 0.0 109.312 179.964 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 76' ' ' LEU . . . . . 0.602 ' CD1' ' CD1' ' A' ' 73' ' ' PHE . 7.1 mt -87.41 -167.71 1.98 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.513 1.133 . . . . 0.0 109.31 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 38.2 t70 -133.4 172.16 13.08 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.491 1.119 . . . . 0.0 109.324 179.969 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 78' ' ' HIS . . . . . . . . . . . . . 60.2 t-80 -72.35 -5.82 39.01 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.485 1.115 . . . . 0.0 109.576 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 9.7 mmtt -109.01 -37.24 5.87 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.474 1.108 . . . . 0.0 109.32 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 3.7 mt-10 -78.62 -35.79 45.07 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.527 1.142 . . . . 0.0 110.333 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -73.69 -31.64 63.54 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.495 1.122 . . . . 0.0 109.31 179.937 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 44.2 t -82.06 -39.02 16.15 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.54 1.15 . . . . 0.0 109.302 -179.959 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 41.3 t30 -63.92 -40.22 95.97 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.504 1.127 . . . . 0.0 109.326 179.962 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 83.2 t -73.23 -33.48 41.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.502 1.126 . . . . 0.0 109.267 -179.982 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 25.9 mt -75.69 -35.28 60.37 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.468 1.105 . . . . 0.0 109.311 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -88.45 -3.66 58.78 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.508 1.13 . . . . 0.0 109.267 -179.953 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 4.9 t -57.54 -59.79 4.65 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.477 1.111 . . . . 0.0 109.98 -179.936 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -128.25 174.39 9.32 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.471 1.107 . . . . 0.0 110.004 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 24.7 mmt180 -81.51 -58.94 2.8 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.503 1.127 . . . . 0.0 110.312 179.952 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -83.13 117.78 23.12 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.519 1.137 . . . . 0.0 110.039 179.958 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 1.1 mt -140.85 143.9 35.01 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.521 1.138 . . . . 0.0 109.307 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 92' ' ' THR . . . . . 0.597 ' OG1' ' CE2' ' A' ' 20' ' ' PHE . 44.0 m -100.12 100.27 11.1 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.471 1.107 . . . . 0.0 110.385 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 93' ' ' ILE . . . . . 0.453 HD12 ' CG1' ' A' ' 21' ' ' ILE . 16.8 mt -89.91 135.16 26.96 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.551 1.157 . . . . 0.0 109.303 179.978 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -115.79 103.24 10.46 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.488 1.118 . . . . 0.0 109.976 -179.971 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 1.5 pt -100.3 168.47 1.84 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.462 1.101 . . . . 0.0 109.325 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 96' ' ' VAL . . . . . 0.488 ' O ' ' CG1' ' A' ' 96' ' ' VAL . 76.0 t -108.32 31.27 0.99 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.473 1.108 . . . . 0.0 109.296 179.985 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 97' ' ' ALA . . . . . 0.434 ' O ' ' O ' ' A' ' 96' ' ' VAL . . . 45.16 95.54 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.479 1.112 . . . . 0.0 109.313 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . 47.74 58.64 4.8 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.531 1.144 . . . . 0.0 109.302 179.992 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 99' ' ' ALA . . . . . 0.466 ' CB ' ' HB ' ' A' ' 96' ' ' VAL . . . -65.21 -68.63 0.35 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.478 1.111 . . . . 0.0 109.316 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . -106.08 59.93 0.39 Allowed Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.532 1.145 . . . . 0.0 110.989 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 1.1 ttp180 -70.78 -29.95 66.29 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.505 0.768 . . . . 0.0 110.319 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 10.5 pt-20 -58.52 -40.04 81.78 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.498 1.124 . . . . 0.0 110.326 179.954 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 103' ' ' LEU . . . . . 0.551 HD12 ' CE2' ' A' ' 44' ' ' PHE . 48.3 mt -40.76 -42.62 1.81 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.483 1.115 . . . . 0.0 109.294 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 104' ' ' PHE . . . . . 0.594 ' CE2' ' O ' ' A' ' 45' ' ' ILE . 48.7 m-85 . . . . . 0 C--N 1.324 -0.513 0 O-C-N 124.52 1.138 . . . . 0.0 110.998 -179.973 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 17.9 mt-10 . . . . . 0 N--CA 1.453 -0.287 0 N-CA-C 110.304 -0.258 . . . . 0.0 110.304 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . 0.47 ' CE ' HD11 ' A' ' 95' ' ' ILE . 0.6 OUTLIER -126.49 141.76 51.77 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.497 1.123 . . . . 0.0 109.279 -179.961 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -92.7 125.86 37.51 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.535 1.147 . . . . 0.0 109.298 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 2.6 m -129.36 121.91 54.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.475 1.109 . . . . 0.0 109.286 -179.982 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 20' ' ' PHE . . . . . 0.59 ' CE2' ' OG1' ' A' ' 92' ' ' THR . 0.1 OUTLIER -100.89 115.96 31.64 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.514 1.134 . . . . 0.0 111.018 179.977 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 21' ' ' ILE . . . . . 0.465 ' CG1' HD12 ' A' ' 93' ' ' ILE . 33.1 mm -97.66 118.11 43.57 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 O-C-N 124.533 1.145 . . . . 0.0 109.309 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 18.2 p -112.87 104.31 12.3 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.418 1.074 . . . . 0.0 109.989 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 3.6 mp . . . . . 0 C--N 1.325 -0.5 0 O-C-N 124.506 1.129 . . . . 0.0 109.285 179.979 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.995 0 N-CA-C 110.987 -0.845 . . . . 0.0 110.987 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 24.6 p -111.74 148.15 34.11 Favored 'General case' 0 C--N 1.325 -0.482 0 N-CA-C 108.341 -0.985 . . . . 0.0 108.341 179.952 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -102.78 141.84 34.92 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.522 1.138 . . . . 0.0 109.996 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 33' ' ' ILE . . . . . 0.414 HD11 ' CG2' ' A' ' 82' ' ' VAL . 6.3 pt -117.92 145.92 23.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.522 1.138 . . . . 0.0 109.3 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -134.87 168.9 18.23 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.476 1.11 . . . . 0.0 109.989 -179.981 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 74.1 p -96.5 143.48 27.47 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.51 1.131 . . . . 0.0 110.018 179.977 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -95.32 164.7 24.68 Favored Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.521 1.138 . . . . 0.0 111.003 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.05 -172.04 1.15 Allowed 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.492 1.785 . . . . 0.0 110.962 -179.956 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 0.7 OUTLIER -72.18 -30.33 35.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.511 1.132 . . . . 0.0 109.325 -179.976 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 16.9 pt20 -78.09 -30.19 49.43 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.507 1.13 . . . . 0.0 110.3 179.978 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 40' ' ' LYS . . . . . 0.476 ' N ' ' HD3' ' A' ' 41' ' ' PRO . 0.0 OUTLIER -136.01 61.57 41.31 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.5 1.125 . . . . 0.0 109.3 -179.996 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 41' ' ' PRO . . . . . 0.476 ' HD3' ' N ' ' A' ' 40' ' ' LYS . 18.2 Cg_endo -75.0 146.53 32.76 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.505 1.792 . . . . 0.0 110.992 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 142.6 -163.94 27.13 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.509 1.13 . . . . 0.0 110.983 179.954 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 7.5 mm -116.2 118.6 59.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.49 0.759 . . . . 0.0 109.252 -179.965 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 44' ' ' PHE . . . . . 0.573 ' N ' ' CD1' ' A' ' 44' ' ' PHE . 1.2 m-85 -126.63 140.24 52.57 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.521 1.138 . . . . 0.0 111.014 179.974 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 45' ' ' ILE . . . . . 0.527 ' O ' ' CZ ' ' A' ' 104' ' ' PHE . 25.5 mt -66.56 145.06 14.12 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.524 1.14 . . . . 0.0 109.288 -180.0 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 46' ' ' SER . . . . . 0.494 ' HA ' ' CE2' ' A' ' 104' ' ' PHE . 0.8 OUTLIER -108.88 -37.36 5.88 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.509 1.131 . . . . 0.0 109.964 -179.992 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 58.8 t-80 -160.27 154.86 23.91 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.482 1.114 . . . . 0.0 109.61 -179.961 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 1.2 p . . . . . 0 C--N 1.325 -0.488 0 O-C-N 124.46 1.1 . . . . 0.0 109.297 -179.999 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 80.7 p . . . . . 0 N--CA 1.453 -0.321 0 N-CA-C 110.011 -0.366 . . . . 0.0 110.011 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . 0.431 ' CD2' HG22 ' A' ' 21' ' ' ILE . 32.0 tp -83.83 -20.85 32.47 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.5 1.125 . . . . 0.0 109.304 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 54' ' ' SER . . . . . 0.471 ' O ' ' CG2' ' A' ' 57' ' ' VAL . 3.8 m -94.56 -32.99 13.21 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.48 1.112 . . . . 0.0 109.974 -179.965 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -68.59 -30.67 69.48 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.492 1.12 . . . . 0.0 109.287 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . 0.42 ' HG3' ' N ' ' A' ' 57' ' ' VAL . 2.8 pt-20 -63.84 -34.29 77.6 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.529 1.143 . . . . 0.0 110.309 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 57' ' ' VAL . . . . . 0.471 ' CG2' ' O ' ' A' ' 54' ' ' SER . 20.5 m -83.59 -21.3 8.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.482 1.114 . . . . 0.0 109.359 179.976 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 99.61 38.57 3.65 Favored Glycine 0 CA--C 1.531 1.045 0 O-C-N 124.52 1.138 . . . . 0.0 110.99 179.968 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 59' ' ' LEU . . . . . 0.462 ' HG ' ' CG2' ' A' ' 57' ' ' VAL . 16.6 mt -85.91 141.57 29.47 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.573 0.807 . . . . 0.0 109.299 -179.983 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 25.0 mt-10 -135.13 172.25 13.28 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.523 1.14 . . . . 0.0 110.286 179.975 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 26.5 mt -67.5 124.15 22.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.481 1.113 . . . . 0.0 109.28 179.983 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 119.96 -35.16 3.91 Favored Glycine 0 CA--C 1.529 0.951 0 O-C-N 124.47 1.106 . . . . 0.0 110.966 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 85.1 m-20 -47.02 98.87 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.514 0.773 . . . . 0.0 109.319 179.983 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 64' ' ' GLN . . . . . 0.565 ' HB2' ' CD2' ' A' ' 44' ' ' PHE . 44.4 tt0 -82.92 128.6 34.6 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.489 1.118 . . . . 0.0 110.277 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 65' ' ' ILE . . . . . 0.574 ' CG2' ' CG2' ' A' ' 68' ' ' VAL . 54.1 mt -78.27 113.0 16.93 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.47 1.106 . . . . 0.0 109.302 179.975 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 66' ' ' VAL . . . . . 0.457 ' CG2' ' O ' ' A' ' 94' ' ' SER . 16.8 m -101.93 -21.24 5.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.506 1.129 . . . . 0.0 109.304 179.976 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . 0.434 ' HG2' ' N ' ' A' ' 68' ' ' VAL . 29.0 tt0 -156.02 150.4 25.71 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.545 1.153 . . . . 0.0 110.321 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 68' ' ' VAL . . . . . 0.579 ' HB ' ' CE1' ' A' ' 73' ' ' PHE . 64.4 t -148.74 117.85 1.07 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.472 1.108 . . . . 0.0 109.269 -179.959 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 1.1 t-20 53.92 25.2 5.13 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.476 1.11 . . . . 0.0 109.336 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 88.38 19.18 53.48 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.486 1.116 . . . . 0.0 111.001 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 71' ' ' VAL . . . . . 0.496 ' CG2' ' O ' ' A' ' 68' ' ' VAL . 65.8 t -93.96 158.41 2.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.493 0.761 . . . . 0.0 109.264 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 7.0 t0 -93.19 89.29 6.38 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.473 1.108 . . . . 0.0 109.294 179.967 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 73' ' ' PHE . . . . . 0.592 ' CD1' ' CD1' ' A' ' 76' ' ' LEU . 4.8 m-85 -95.39 21.57 7.93 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.456 1.097 . . . . 0.0 110.992 -180.0 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -75.96 -30.46 58.63 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.507 1.129 . . . . 0.0 110.006 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 6.9 m-80 -143.24 46.32 1.53 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.537 1.148 . . . . 0.0 109.36 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 76' ' ' LEU . . . . . 0.592 ' CD1' ' CD1' ' A' ' 73' ' ' PHE . 5.0 mt -82.84 -165.48 1.07 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.456 1.098 . . . . 0.0 109.293 -179.947 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 19.4 t0 -131.57 169.15 16.52 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.469 1.106 . . . . 0.0 109.322 179.958 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 78' ' ' HIS . . . . . . . . . . . . . 61.4 t-80 -71.71 -6.92 44.74 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.535 1.147 . . . . 0.0 109.663 179.987 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 19.0 mttt -109.39 -34.77 6.44 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.494 1.121 . . . . 0.0 109.285 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 1.8 mm-40 -79.66 -37.84 34.99 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.464 1.103 . . . . 0.0 110.306 -179.986 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -70.88 -27.59 63.93 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.504 1.127 . . . . 0.0 109.337 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 82' ' ' VAL . . . . . 0.473 HG13 ' CE ' ' A' ' 86' ' ' LYS . 24.8 t -85.96 -38.48 12.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.458 1.099 . . . . 0.0 109.334 179.956 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 2.3 t30 -65.25 -41.79 93.96 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.491 1.119 . . . . 0.0 109.301 179.976 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 69.5 t -73.56 -26.9 22.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.54 1.15 . . . . 0.0 109.31 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 19.9 mt -80.7 -41.21 24.05 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.491 1.12 . . . . 0.0 109.306 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 86' ' ' LYS . . . . . 0.473 ' CE ' HG13 ' A' ' 82' ' ' VAL . 9.2 ptpt -83.46 -2.96 57.1 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.5 1.125 . . . . 0.0 109.257 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -56.12 -57.25 12.97 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.463 1.102 . . . . 0.0 110.046 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -127.54 -170.36 2.21 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.517 1.136 . . . . 0.0 109.966 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -98.94 -52.71 3.48 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.492 1.12 . . . . 0.0 110.295 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -90.17 110.82 21.83 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.459 1.099 . . . . 0.0 109.998 179.967 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 91' ' ' LEU . . . . . 0.435 ' O ' ' CD1' ' A' ' 20' ' ' PHE . 1.1 mp -133.44 148.15 51.74 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.516 1.135 . . . . 0.0 109.308 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 92' ' ' THR . . . . . 0.59 ' OG1' ' CE2' ' A' ' 20' ' ' PHE . 67.4 m -102.84 100.9 10.93 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.49 1.119 . . . . 0.0 110.399 -179.975 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 93' ' ' ILE . . . . . 0.465 HD12 ' CG1' ' A' ' 21' ' ' ILE . 18.8 mt -89.23 137.47 21.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.474 1.109 . . . . 0.0 109.34 179.982 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 94' ' ' SER . . . . . 0.457 ' O ' ' CG2' ' A' ' 66' ' ' VAL . 0.3 OUTLIER -122.65 102.72 8.22 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.511 1.132 . . . . 0.0 109.968 -179.941 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 95' ' ' ILE . . . . . 0.47 HD11 ' CE ' ' A' ' 17' ' ' LYS . 1.4 pt -99.96 177.84 0.69 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.459 1.099 . . . . 0.0 109.342 179.96 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 96' ' ' VAL . . . . . 0.48 ' O ' ' CG1' ' A' ' 96' ' ' VAL . 84.8 t -115.78 35.37 1.02 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.468 1.105 . . . . 0.0 109.32 -179.973 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 97' ' ' ALA . . . . . 0.403 ' O ' ' O ' ' A' ' 96' ' ' VAL . . . 45.13 93.69 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.486 1.116 . . . . 0.0 109.274 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . 45.46 58.98 3.82 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.546 1.154 . . . . 0.0 109.273 180.0 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 99' ' ' ALA . . . . . 0.449 ' CB ' ' HB ' ' A' ' 96' ' ' VAL . . . -61.76 -73.05 0.11 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.489 1.118 . . . . 0.0 109.287 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . -104.1 56.85 0.55 Allowed Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.455 1.097 . . . . 0.0 110.967 -179.977 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 7.0 ptt180 -72.39 -24.6 61.27 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.541 0.789 . . . . 0.0 110.286 179.968 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 10.8 pt-20 -56.02 -24.71 40.92 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.484 1.115 . . . . 0.0 110.269 -179.97 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 103' ' ' LEU . . . . . 0.553 HD13 ' CD2' ' A' ' 44' ' ' PHE . 82.4 mt -56.48 -41.39 76.51 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.466 1.104 . . . . 0.0 109.324 179.976 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 104' ' ' PHE . . . . . 0.527 ' CZ ' ' O ' ' A' ' 45' ' ' ILE . 4.2 m-85 . . . . . 0 C--N 1.325 -0.458 0 O-C-N 124.498 1.124 . . . . 0.0 111.002 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 24.2 mt-10 . . . . . 0 N--CA 1.453 -0.297 0 N-CA-C 110.344 -0.243 . . . . 0.0 110.344 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . 0.471 ' CE ' HD11 ' A' ' 95' ' ' ILE . 0.0 OUTLIER -106.14 154.48 20.62 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.532 1.145 . . . . 0.0 109.31 -179.986 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -107.57 114.02 27.72 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.479 1.112 . . . . 0.0 109.274 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 1.0 OUTLIER -118.03 131.86 69.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.499 1.124 . . . . 0.0 109.321 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 20' ' ' PHE . . . . . 0.559 ' CE2' ' OG1' ' A' ' 92' ' ' THR . 3.7 t80 -107.32 111.97 24.58 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.498 1.124 . . . . 0.0 110.983 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 21' ' ' ILE . . . . . 0.471 ' CD1' ' O ' ' A' ' 53' ' ' LEU . 25.3 mm -103.19 112.02 35.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.515 1.134 . . . . 0.0 109.315 179.969 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 8.3 t -114.68 122.93 47.98 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.536 1.147 . . . . 0.0 109.996 179.981 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 3.0 mm? . . . . . 0 C--N 1.326 -0.454 0 O-C-N 124.465 1.103 . . . . 0.0 109.314 179.983 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.004 0 N-CA-C 110.99 -0.844 . . . . 0.0 110.99 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 27.4 p -125.74 149.49 48.49 Favored 'General case' 0 C--N 1.325 -0.468 0 N-CA-C 108.308 -0.997 . . . . 0.0 108.308 179.978 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -108.34 140.44 41.61 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.442 1.089 . . . . 0.0 110.051 179.945 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 4.0 pt -105.02 152.34 6.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.51 1.131 . . . . 0.0 109.315 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -127.84 169.69 13.63 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.476 1.11 . . . . 0.0 110.005 -179.977 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 93.4 p -105.1 142.43 34.9 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.487 1.117 . . . . 0.0 109.998 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -96.61 161.49 22.1 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.468 1.105 . . . . 0.0 110.971 -179.977 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 -172.82 1.36 Allowed 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.486 1.782 . . . . 0.0 111.028 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 0.8 OUTLIER -71.56 -30.27 38.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.503 1.127 . . . . 0.0 109.253 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 11.9 pt20 -78.09 -28.71 48.78 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.489 1.118 . . . . 0.0 110.306 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 40' ' ' LYS . . . . . 0.455 ' N ' ' HD3' ' A' ' 41' ' ' PRO . 27.6 tttt -138.85 62.46 27.46 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.475 1.109 . . . . 0.0 109.347 179.954 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 41' ' ' PRO . . . . . 0.455 ' HD3' ' N ' ' A' ' 40' ' ' LYS . 18.2 Cg_endo -75.01 145.14 31.05 Favored 'Trans proline' 0 C--N 1.361 1.186 0 O-C-N 124.539 1.81 . . . . 0.0 110.971 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 150.83 -158.9 27.9 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.497 1.123 . . . . 0.0 110.973 179.974 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 43' ' ' ILE . . . . . 0.462 HG22 ' CD1' ' A' ' 65' ' ' ILE . 7.9 mm -126.74 121.58 58.74 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.492 0.76 . . . . 0.0 109.264 -179.927 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 44' ' ' PHE . . . . . 0.576 ' CD2' ' HB2' ' A' ' 64' ' ' GLN . 2.3 m-85 -128.48 146.33 50.84 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.489 1.118 . . . . 0.0 110.989 -179.979 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 45' ' ' ILE . . . . . 0.408 ' O ' ' CZ ' ' A' ' 104' ' ' PHE . 14.6 mt -71.06 138.41 21.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.519 1.137 . . . . 0.0 109.319 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -104.77 -36.76 7.3 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.506 1.129 . . . . 0.0 109.994 -179.949 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 43.3 t-80 -154.91 147.47 24.19 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.491 1.12 . . . . 0.0 109.563 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 48' ' ' VAL . . . . . 0.4 ' CG2' ' HB2' ' A' ' 54' ' ' SER . 0.8 OUTLIER . . . . . 0 C--N 1.325 -0.5 0 O-C-N 124.527 1.142 . . . . 0.0 109.293 -179.98 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 13.8 p . . . . . 0 N--CA 1.453 -0.301 0 N-CA-C 109.976 -0.379 . . . . 0.0 109.976 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . 0.471 ' O ' ' CD1' ' A' ' 21' ' ' ILE . 0.4 OUTLIER -73.26 -9.8 59.09 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.502 1.126 . . . . 0.0 109.322 179.983 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 54' ' ' SER . . . . . 0.537 ' O ' ' CG2' ' A' ' 57' ' ' VAL . 0.9 OUTLIER -96.35 -55.16 3.03 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.516 1.135 . . . . 0.0 110.004 -179.999 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -51.78 -39.34 58.47 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.508 1.13 . . . . 0.0 109.312 -179.987 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . 0.447 ' HG3' ' N ' ' A' ' 57' ' ' VAL . 3.0 pt-20 -55.24 -29.58 58.31 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.485 1.116 . . . . 0.0 110.318 179.971 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 57' ' ' VAL . . . . . 0.537 ' CG2' ' O ' ' A' ' 54' ' ' SER . 3.2 m -91.87 -22.76 5.95 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.512 1.133 . . . . 0.0 109.3 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 58' ' ' GLY . . . . . 0.42 ' N ' HG22 ' A' ' 57' ' ' VAL . . . 101.29 39.43 3.04 Favored Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.53 1.144 . . . . 0.0 111.032 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 59' ' ' LEU . . . . . 0.505 ' HG ' ' CG2' ' A' ' 57' ' ' VAL . 15.6 mt -85.62 140.91 30.2 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.498 0.764 . . . . 0.0 109.32 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 32.4 mt-10 -138.45 164.53 29.13 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.489 1.118 . . . . 0.0 110.353 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 39.7 mt -59.88 126.6 17.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.472 1.107 . . . . 0.0 109.294 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 122.73 -35.64 3.37 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.518 1.136 . . . . 0.0 110.989 179.974 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 63' ' ' ASP . . . . . 0.411 ' OD2' ' CD2' ' A' ' 59' ' ' LEU . 72.5 m-20 -49.94 98.08 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.468 0.746 . . . . 0.0 109.301 -179.979 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 64' ' ' GLN . . . . . 0.576 ' HB2' ' CD2' ' A' ' 44' ' ' PHE . 58.2 tt0 -83.05 123.07 29.13 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.501 1.126 . . . . 0.0 110.319 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 65' ' ' ILE . . . . . 0.617 ' CG2' ' CG2' ' A' ' 68' ' ' VAL . 2.6 mt -76.99 109.49 11.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.504 1.127 . . . . 0.0 109.275 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 23.3 m -100.75 -24.34 4.13 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.472 1.107 . . . . 0.0 109.278 179.976 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . 0.441 ' HG2' ' N ' ' A' ' 68' ' ' VAL . 29.6 tt0 -149.8 148.7 29.5 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.441 1.088 . . . . 0.0 110.318 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 68' ' ' VAL . . . . . 0.617 ' CG2' ' CG2' ' A' ' 65' ' ' ILE . 95.3 t -148.25 121.56 1.8 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.5 1.125 . . . . 0.0 109.311 179.98 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 1.1 t-20 51.07 26.46 2.8 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.538 1.149 . . . . 0.0 109.301 179.988 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 86.47 22.28 48.04 Favored Glycine 0 CA--C 1.529 0.959 0 O-C-N 124.488 1.117 . . . . 0.0 111.023 -179.954 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 71' ' ' VAL . . . . . 0.505 ' CG2' ' O ' ' A' ' 68' ' ' VAL . 81.3 t -96.17 158.76 3.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.479 0.752 . . . . 0.0 109.328 179.958 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 3.0 t0 -93.83 91.24 6.86 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.457 1.098 . . . . 0.0 109.309 -179.983 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 73' ' ' PHE . . . . . 0.588 ' CD1' ' CD1' ' A' ' 76' ' ' LEU . 5.1 m-85 -96.91 17.47 16.75 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.466 1.104 . . . . 0.0 111.04 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -67.48 -30.59 70.32 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.505 1.128 . . . . 0.0 110.024 179.97 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 75.4 m-20 -148.79 56.02 1.02 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.476 1.11 . . . . 0.0 109.332 -179.977 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 76' ' ' LEU . . . . . 0.588 ' CD1' ' CD1' ' A' ' 73' ' ' PHE . 6.3 mt -89.59 -166.99 1.73 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.496 1.123 . . . . 0.0 109.312 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 37.3 t70 -130.73 170.38 14.43 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.453 1.095 . . . . 0.0 109.315 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 78' ' ' HIS . . . . . . . . . . . . . 64.6 t-80 -71.59 -6.67 42.57 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.492 1.12 . . . . 0.0 109.567 -179.987 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 4.1 mmtt -108.62 -37.18 5.99 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.486 1.116 . . . . 0.0 109.294 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 3.0 mm-40 -78.42 -38.6 41.11 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.526 1.141 . . . . 0.0 110.284 -179.979 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -69.8 -30.89 68.54 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.46 1.1 . . . . 0.0 109.288 -179.983 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 82' ' ' VAL . . . . . 0.452 HG11 ' CE ' ' A' ' 86' ' ' LYS . 11.5 t -79.63 -48.05 21.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.535 1.147 . . . . 0.0 109.333 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 45.0 t30 -54.66 -45.94 73.91 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.5 1.125 . . . . 0.0 109.31 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 71.2 t -67.81 -24.97 31.46 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 O-C-N 124.522 1.139 . . . . 0.0 109.288 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 15.2 mt -81.05 -40.41 24.24 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.546 1.154 . . . . 0.0 109.332 179.983 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 86' ' ' LYS . . . . . 0.452 ' CE ' HG11 ' A' ' 82' ' ' VAL . 0.9 OUTLIER -84.49 -1.51 55.85 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.484 1.115 . . . . 0.0 109.271 -179.987 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 9.3 t -55.66 -66.67 0.38 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.447 1.092 . . . . 0.0 109.987 -179.982 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 88' ' ' SER . . . . . 0.477 ' O ' ' CD1' ' A' ' 91' ' ' LEU . 0.5 OUTLIER -128.77 176.74 7.58 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.508 1.13 . . . . 0.0 109.994 179.969 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 21.9 mmt85 -82.53 -58.22 3.01 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.489 1.118 . . . . 0.0 110.28 -179.932 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -78.94 108.97 12.81 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.535 1.147 . . . . 0.0 109.986 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 91' ' ' LEU . . . . . 0.477 ' CD1' ' O ' ' A' ' 88' ' ' SER . 1.1 mt -133.08 143.58 49.42 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.556 1.16 . . . . 0.0 109.334 179.954 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 92' ' ' THR . . . . . 0.559 ' OG1' ' CE2' ' A' ' 20' ' ' PHE . 18.8 m -103.82 100.95 10.76 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.564 1.165 . . . . 0.0 110.427 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 15.4 mt -89.48 132.77 33.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.529 1.143 . . . . 0.0 109.329 180.0 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -114.82 102.83 10.37 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.461 1.101 . . . . 0.0 110.019 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 95' ' ' ILE . . . . . 0.471 HD11 ' CE ' ' A' ' 17' ' ' LYS . 1.6 pt -104.82 167.46 2.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.497 1.123 . . . . 0.0 109.345 179.966 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 96' ' ' VAL . . . . . 0.486 ' O ' ' CG1' ' A' ' 96' ' ' VAL . 73.3 t -104.87 29.56 0.89 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.481 1.113 . . . . 0.0 109.304 -179.977 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 97' ' ' ALA . . . . . 0.415 ' O ' ' O ' ' A' ' 96' ' ' VAL . . . 45.29 94.58 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.522 1.139 . . . . 0.0 109.268 179.978 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 98' ' ' ALA . . . . . 0.4 ' HB1' ' NE ' ' A' ' 101' ' ' ARG . . . 53.44 54.88 9.43 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.487 1.117 . . . . 0.0 109.271 179.958 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 99' ' ' ALA . . . . . 0.471 ' CB ' ' HB ' ' A' ' 96' ' ' VAL . . . -62.77 -69.92 0.23 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.515 1.134 . . . . 0.0 109.273 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . -102.59 59.71 0.54 Allowed Glycine 0 CA--C 1.529 0.954 0 O-C-N 124.514 1.134 . . . . 0.0 111.019 -179.99 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 101' ' ' ARG . . . . . 0.4 ' NE ' ' HB1' ' A' ' 98' ' ' ALA . 1.0 OUTLIER -71.19 -25.43 62.52 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.494 0.761 . . . . 0.0 110.279 -179.974 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -66.88 -27.52 67.58 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.534 1.146 . . . . 0.0 110.275 -179.982 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 14.8 mt -53.93 -38.94 65.43 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.462 1.101 . . . . 0.0 109.306 179.969 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 104' ' ' PHE . . . . . 0.408 ' CZ ' ' O ' ' A' ' 45' ' ' ILE . 49.0 m-85 . . . . . 0 C--N 1.325 -0.48 0 O-C-N 124.481 1.113 . . . . 0.0 111.022 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 18.3 mt-10 . . . . . 0 N--CA 1.453 -0.313 0 N-CA-C 110.298 -0.26 . . . . 0.0 110.298 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . 0.426 ' HE2' ' CD1' ' A' ' 95' ' ' ILE . 0.0 OUTLIER -116.19 144.87 43.61 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.453 1.095 . . . . 0.0 109.287 -180.0 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -92.64 135.27 34.23 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.518 1.136 . . . . 0.0 109.278 179.974 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER -135.46 116.84 19.87 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.451 1.095 . . . . 0.0 109.271 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 0.9 OUTLIER -95.01 110.49 22.39 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.46 1.1 . . . . 0.0 111.009 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 21' ' ' ILE . . . . . 0.432 HD12 ' CG1' ' A' ' 57' ' ' VAL . 28.5 mm -105.61 109.78 28.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.535 1.147 . . . . 0.0 109.298 -180.0 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 55.8 p -112.94 134.78 54.29 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.528 1.143 . . . . 0.0 109.978 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 2.9 mm? . . . . . 0 C--N 1.325 -0.49 0 O-C-N 124.496 1.123 . . . . 0.0 109.309 179.974 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.947 0 N-CA-C 111.039 -0.824 . . . . 0.0 111.039 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 31' ' ' CYS . . . . . 0.415 ' SG ' ' OG ' ' A' ' 54' ' ' SER . 26.4 p -112.7 146.79 38.09 Favored 'General case' 0 C--N 1.325 -0.469 0 N-CA-C 108.297 -1.001 . . . . 0.0 108.297 -179.984 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -108.77 138.66 44.74 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.533 1.146 . . . . 0.0 110.03 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 11.5 pt -106.29 146.55 12.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.515 1.134 . . . . 0.0 109.275 -179.936 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 53.6 p -128.43 160.05 33.49 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.522 1.139 . . . . 0.0 109.98 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 22.1 p -89.32 147.87 23.86 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.473 1.108 . . . . 0.0 109.968 -179.984 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -100.59 161.82 18.77 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.519 1.137 . . . . 0.0 110.994 179.976 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 -170.63 0.81 Allowed 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.47 1.774 . . . . 0.0 111.011 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 0.8 OUTLIER -73.19 -30.35 30.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.507 1.13 . . . . 0.0 109.332 179.983 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 4.2 pt20 -78.2 -29.66 48.54 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.433 1.083 . . . . 0.0 110.315 179.979 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 40' ' ' LYS . . . . . 0.467 ' HG2' ' CD1' ' A' ' 103' ' ' LEU . 0.4 OUTLIER -137.19 61.91 35.74 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.548 1.155 . . . . 0.0 109.31 179.953 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 41' ' ' PRO . . . . . 0.466 ' HD3' ' N ' ' A' ' 40' ' ' LYS . 18.1 Cg_endo -75.03 146.75 32.92 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.522 1.801 . . . . 0.0 110.982 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 141.67 -160.24 26.96 Favored Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.461 1.101 . . . . 0.0 110.988 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 11.7 mm -115.23 124.95 72.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.548 0.793 . . . . 0.0 109.322 179.96 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 44' ' ' PHE . . . . . 0.58 ' CD2' ' HB2' ' A' ' 64' ' ' GLN . 3.4 m-85 -132.78 136.92 46.61 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.509 1.131 . . . . 0.0 111.017 179.958 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 45' ' ' ILE . . . . . 0.461 ' O ' ' CE2' ' A' ' 104' ' ' PHE . 8.4 mt -63.06 143.38 15.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.498 1.124 . . . . 0.0 109.286 -179.963 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 5.7 p -111.95 -36.19 5.47 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.548 1.155 . . . . 0.0 109.997 -179.984 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 63.4 t-80 -157.17 149.11 22.59 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.518 1.136 . . . . 0.0 109.622 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--N 1.325 -0.479 0 O-C-N 124.506 1.129 . . . . 0.0 109.339 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 58.5 p . . . . . 0 N--CA 1.453 -0.31 0 N-CA-C 110.005 -0.368 . . . . 0.0 110.005 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . 0.415 ' C ' ' HG2' ' A' ' 56' ' ' GLU . 12.1 tp -76.63 -18.75 58.42 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.457 1.098 . . . . 0.0 109.269 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 54' ' ' SER . . . . . 0.509 ' O ' ' CG2' ' A' ' 57' ' ' VAL . 1.1 m -95.62 -46.06 6.79 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.549 1.156 . . . . 0.0 110.004 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -58.79 -35.5 72.92 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.515 1.134 . . . . 0.0 109.298 -179.985 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . 0.441 ' HG3' ' N ' ' A' ' 57' ' ' VAL . 2.8 pt-20 -59.95 -30.04 68.81 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.46 1.1 . . . . 0.0 110.291 179.979 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 57' ' ' VAL . . . . . 0.509 ' CG2' ' O ' ' A' ' 54' ' ' SER . 4.1 m -90.84 -14.98 8.62 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.457 1.098 . . . . 0.0 109.293 -179.969 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 96.39 27.43 9.93 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.52 1.138 . . . . 0.0 111.004 179.976 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 59' ' ' LEU . . . . . 0.479 ' CD1' ' HB3' ' A' ' 54' ' ' SER . 10.9 mt -75.3 141.74 43.36 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.497 0.763 . . . . 0.0 109.307 179.977 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 29.9 mt-10 -140.54 171.93 13.43 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.537 1.148 . . . . 0.0 110.326 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 61' ' ' ILE . . . . . 0.412 ' O ' ' CG ' ' A' ' 101' ' ' ARG . 30.9 mt -67.12 132.53 32.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.499 1.124 . . . . 0.0 109.328 179.957 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 113.85 -32.75 5.83 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.471 1.107 . . . . 0.0 110.974 179.968 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 63' ' ' ASP . . . . . 0.46 ' OD2' ' CD2' ' A' ' 59' ' ' LEU . 43.2 m-20 -52.55 98.98 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.47 0.747 . . . . 0.0 109.318 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 64' ' ' GLN . . . . . 0.58 ' HB2' ' CD2' ' A' ' 44' ' ' PHE . 41.7 tt0 -82.65 122.61 28.35 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.511 1.132 . . . . 0.0 110.303 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 65' ' ' ILE . . . . . 0.604 ' CG2' ' CG2' ' A' ' 68' ' ' VAL . 92.5 mt -73.96 108.19 5.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.509 1.131 . . . . 0.0 109.259 -179.969 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 12.8 m -96.66 -23.28 4.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.534 1.146 . . . . 0.0 109.275 -179.983 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . 0.411 ' HG2' ' N ' ' A' ' 68' ' ' VAL . 38.0 tt0 -152.47 154.42 35.47 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.503 1.127 . . . . 0.0 110.299 179.973 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 68' ' ' VAL . . . . . 0.604 ' CG2' ' CG2' ' A' ' 65' ' ' ILE . 77.4 t -152.32 114.6 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 O-C-N 124.478 1.111 . . . . 0.0 109.29 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 1.5 t-20 58.83 17.04 4.92 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.573 1.171 . . . . 0.0 109.348 -179.97 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 100.13 -1.2 56.21 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.5 1.125 . . . . 0.0 110.976 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 58.4 t -75.87 145.16 11.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.494 0.761 . . . . 0.0 109.293 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 2.1 t0 -84.17 91.16 7.64 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.488 1.118 . . . . 0.0 109.316 -179.969 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 73' ' ' PHE . . . . . 0.595 ' CD1' ' CD1' ' A' ' 76' ' ' LEU . 3.1 m-85 -88.15 35.52 0.75 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.525 1.141 . . . . 0.0 111.0 -179.94 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 2.8 t -70.34 -65.49 0.72 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.5 1.125 . . . . 0.0 109.977 -179.945 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 2.4 m-80 -119.18 54.79 0.96 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.502 1.126 . . . . 0.0 109.246 -179.952 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 76' ' ' LEU . . . . . 0.595 ' CD1' ' CD1' ' A' ' 73' ' ' PHE . 6.6 mt -81.42 -166.38 1.16 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.454 1.096 . . . . 0.0 109.315 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 28.7 t70 -135.68 169.52 17.42 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.534 1.147 . . . . 0.0 109.343 179.965 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 78' ' ' HIS . . . . . . . . . . . . . 61.3 t-80 -70.58 -7.18 42.06 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.462 1.101 . . . . 0.0 109.581 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -108.22 -37.14 6.1 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.52 1.138 . . . . 0.0 109.315 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 80' ' ' GLU . . . . . 0.417 ' O ' ' CG2' ' A' ' 84' ' ' VAL . 2.7 mt-10 -76.53 -37.18 57.09 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.551 1.157 . . . . 0.0 110.292 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -72.66 -40.63 66.17 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.546 1.154 . . . . 0.0 109.281 179.977 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 82' ' ' VAL . . . . . 0.462 ' O ' ' N ' ' A' ' 86' ' ' LYS . 4.4 t -65.75 -52.17 53.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.495 1.122 . . . . 0.0 109.309 179.959 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 83' ' ' ASN . . . . . 0.48 ' HA ' ' CD ' ' A' ' 86' ' ' LYS . 6.7 t30 -53.43 -46.57 69.85 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.475 1.109 . . . . 0.0 109.298 -179.958 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 84' ' ' VAL . . . . . 0.417 ' CG2' ' O ' ' A' ' 80' ' ' GLU . 93.1 t -67.71 -22.13 28.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.445 1.09 . . . . 0.0 109.253 -179.97 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 25.3 mt -85.9 -31.56 22.12 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.491 1.119 . . . . 0.0 109.288 -179.97 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 86' ' ' LYS . . . . . 0.48 ' CD ' ' HA ' ' A' ' 83' ' ' ASN . 0.0 OUTLIER -97.2 -0.99 45.87 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.506 1.129 . . . . 0.0 109.346 179.971 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 87' ' ' SER . . . . . 0.458 ' N ' ' O ' ' A' ' 83' ' ' ASN . 8.5 t -53.18 -70.36 0.09 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.487 1.117 . . . . 0.0 110.032 -179.97 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -116.74 -178.71 3.49 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.495 1.122 . . . . 0.0 110.002 179.955 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 12.2 mmt85 -83.99 -56.76 3.5 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.523 1.139 . . . . 0.0 110.279 -179.98 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -85.78 117.66 24.79 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.475 1.109 . . . . 0.0 110.035 179.976 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 1.1 mt -135.68 147.29 48.48 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.463 1.102 . . . . 0.0 109.293 179.958 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 92.7 m -109.93 101.18 10.04 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.45 1.094 . . . . 0.0 110.365 -179.952 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 93' ' ' ILE . . . . . 0.431 HD11 ' CG1' ' A' ' 21' ' ' ILE . 11.2 mt -89.07 136.15 24.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.481 1.113 . . . . 0.0 109.28 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -118.74 103.89 10.08 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.491 1.119 . . . . 0.0 110.011 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 95' ' ' ILE . . . . . 0.426 ' CD1' ' HE2' ' A' ' 17' ' ' LYS . 1.1 pt -100.52 174.56 0.98 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.466 1.104 . . . . 0.0 109.35 179.985 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 96' ' ' VAL . . . . . 0.497 ' O ' ' CG1' ' A' ' 96' ' ' VAL . 68.9 t -114.3 31.75 1.56 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.49 1.119 . . . . 0.0 109.303 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 97' ' ' ALA . . . . . 0.44 ' O ' ' O ' ' A' ' 96' ' ' VAL . . . 45.24 96.15 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.548 1.155 . . . . 0.0 109.279 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . 46.99 59.17 4.17 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.55 1.156 . . . . 0.0 109.276 179.966 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 99' ' ' ALA . . . . . 0.452 ' CB ' ' HB ' ' A' ' 96' ' ' VAL . . . -66.04 -70.39 0.24 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.519 1.137 . . . . 0.0 109.276 -179.982 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . -105.53 60.5 0.39 Allowed Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.431 1.082 . . . . 0.0 111.009 179.971 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 101' ' ' ARG . . . . . 0.412 ' CG ' ' O ' ' A' ' 61' ' ' ILE . 0.0 OUTLIER -72.26 -31.46 65.79 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.498 0.763 . . . . 0.0 110.301 179.995 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 11.6 pt-20 -61.38 -25.45 67.18 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.508 1.13 . . . . 0.0 110.279 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 103' ' ' LEU . . . . . 0.577 HD11 ' CE2' ' A' ' 44' ' ' PHE . 86.3 mt -54.18 -25.09 20.81 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.501 1.126 . . . . 0.0 109.348 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 104' ' ' PHE . . . . . 0.461 ' CE2' ' O ' ' A' ' 45' ' ' ILE . 86.4 m-85 . . . . . 0 C--N 1.325 -0.474 0 O-C-N 124.472 1.107 . . . . 0.0 111.025 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 20.9 mt-10 . . . . . 0 N--CA 1.454 -0.263 0 N-CA-C 110.292 -0.262 . . . . 0.0 110.292 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -111.21 144.13 40.86 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.48 1.112 . . . . 0.0 109.347 179.969 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -94.8 139.01 31.86 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.512 1.133 . . . . 0.0 109.311 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 3.5 m -140.64 124.22 17.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.556 1.16 . . . . 0.0 109.283 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 20' ' ' PHE . . . . . 0.598 ' CE2' ' OG1' ' A' ' 92' ' ' THR . 0.1 OUTLIER -96.99 122.16 39.67 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.491 1.119 . . . . 0.0 110.972 -179.977 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 21' ' ' ILE . . . . . 0.507 ' CD1' ' O ' ' A' ' 53' ' ' LEU . 9.3 mm -108.15 118.58 56.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.472 1.108 . . . . 0.0 109.32 179.972 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 79.1 p -110.93 113.84 26.71 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.445 1.091 . . . . 0.0 109.98 -179.989 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 3.9 mm? . . . . . 0 C--N 1.325 -0.492 0 O-C-N 124.521 1.138 . . . . 0.0 109.273 -179.997 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.985 0 N-CA-C 111.006 -0.838 . . . . 0.0 111.006 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 20.1 p -117.4 143.3 46.13 Favored 'General case' 0 C--N 1.325 -0.476 0 N-CA-C 108.289 -1.004 . . . . 0.0 108.289 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -99.4 137.65 37.6 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.485 1.116 . . . . 0.0 109.963 -179.971 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 11.8 pt -112.34 144.67 19.62 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.504 1.127 . . . . 0.0 109.262 -179.971 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 14.7 m -127.27 141.05 51.82 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.533 1.146 . . . . 0.0 110.002 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 22.3 p -78.54 127.71 32.53 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.472 1.107 . . . . 0.0 109.993 -179.969 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -74.35 166.09 54.78 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.451 1.094 . . . . 0.0 111.012 180.0 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.06 -173.43 1.57 Allowed 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.464 1.77 . . . . 0.0 110.994 179.98 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 0.7 OUTLIER -71.41 -29.99 37.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.437 1.085 . . . . 0.0 109.282 -179.96 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 15.1 pt20 -78.2 -29.25 48.34 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.486 1.116 . . . . 0.0 110.316 179.979 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 40' ' ' LYS . . . . . 0.458 ' N ' ' HD3' ' A' ' 41' ' ' PRO . 7.1 tttt -137.84 62.54 34.67 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.522 1.139 . . . . 0.0 109.33 179.967 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 41' ' ' PRO . . . . . 0.458 ' HD3' ' N ' ' A' ' 40' ' ' LYS . 18.3 Cg_endo -75.04 144.7 30.42 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.483 1.781 . . . . 0.0 111.017 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 152.46 -153.59 24.98 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.513 1.133 . . . . 0.0 110.972 -179.967 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 43' ' ' ILE . . . . . 0.423 HG13 ' CB ' ' A' ' 81' ' ' ALA . 33.5 mm -126.61 126.56 69.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.502 0.766 . . . . 0.0 109.279 -179.972 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 44' ' ' PHE . . . . . 0.594 ' CD2' ' HB2' ' A' ' 64' ' ' GLN . 1.9 m-85 -133.92 151.61 51.56 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.468 1.105 . . . . 0.0 111.015 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 45' ' ' ILE . . . . . 0.463 ' O ' ' CE2' ' A' ' 104' ' ' PHE . 26.2 mt -83.51 142.12 13.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.515 1.134 . . . . 0.0 109.323 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 46' ' ' SER . . . . . 0.42 ' N ' HG23 ' A' ' 45' ' ' ILE . 28.5 t -110.34 -36.26 5.84 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.566 1.167 . . . . 0.0 109.975 -179.98 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 58.4 t-80 -157.69 156.25 31.39 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.473 1.108 . . . . 0.0 109.593 -179.974 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--N 1.325 -0.471 0 O-C-N 124.518 1.136 . . . . 0.0 109.343 -179.994 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 98.1 p . . . . . 0 N--CA 1.453 -0.294 0 N-CA-C 110.032 -0.359 . . . . 0.0 110.032 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . 0.507 ' O ' ' CD1' ' A' ' 21' ' ' ILE . 0.5 OUTLIER -61.8 -15.67 43.5 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.52 1.137 . . . . 0.0 109.289 -179.966 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 54' ' ' SER . . . . . 0.473 ' O ' ' CG2' ' A' ' 57' ' ' VAL . 0.1 OUTLIER -92.35 -41.88 10.1 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.48 1.113 . . . . 0.0 110.006 179.995 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -63.16 -44.45 95.46 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.46 1.1 . . . . 0.0 109.339 179.961 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . 0.444 ' HG3' ' N ' ' A' ' 57' ' ' VAL . 8.6 pt-20 -52.36 -34.67 48.7 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.494 1.121 . . . . 0.0 110.347 179.958 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 57' ' ' VAL . . . . . 0.473 ' CG2' ' O ' ' A' ' 54' ' ' SER . 26.9 m -91.72 -19.73 6.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.498 1.124 . . . . 0.0 109.325 179.968 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 92.0 25.81 21.09 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.47 1.106 . . . . 0.0 111.002 -179.988 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 59' ' ' LEU . . . . . 0.451 ' CD2' ' OD2' ' A' ' 63' ' ' ASP . 13.9 mt -66.44 138.11 57.32 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.477 0.751 . . . . 0.0 109.331 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 24.5 mt-10 -127.74 168.86 14.51 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.524 1.14 . . . . 0.0 110.312 -179.975 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 61' ' ' ILE . . . . . 0.451 ' O ' ' CG ' ' A' ' 101' ' ' ARG . 22.9 mt -62.17 139.38 20.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.478 1.111 . . . . 0.0 109.313 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 62' ' ' GLY . . . . . 0.418 ' N ' HG23 ' A' ' 61' ' ' ILE . . . 106.59 -33.43 6.45 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.513 1.133 . . . . 0.0 111.057 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 63' ' ' ASP . . . . . 0.451 ' OD2' ' CD2' ' A' ' 59' ' ' LEU . 65.9 m-20 -49.7 97.21 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.531 0.783 . . . . 0.0 109.271 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 64' ' ' GLN . . . . . 0.594 ' HB2' ' CD2' ' A' ' 44' ' ' PHE . 50.5 tt0 -83.2 127.25 33.46 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.521 1.138 . . . . 0.0 110.314 179.966 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 65' ' ' ILE . . . . . 0.624 ' CG2' ' CG2' ' A' ' 68' ' ' VAL . 17.5 mt -80.57 109.12 14.67 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.434 0 O-C-N 124.483 1.115 . . . . 0.0 109.317 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 3.5 m -98.18 -25.92 3.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.529 1.143 . . . . 0.0 109.303 -179.983 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . 0.428 ' HG2' ' N ' ' A' ' 68' ' ' VAL . 27.2 tt0 -145.28 153.15 40.98 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.523 1.139 . . . . 0.0 110.288 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 68' ' ' VAL . . . . . 0.624 ' CG2' ' CG2' ' A' ' 65' ' ' ILE . 86.3 t -152.62 112.58 0.41 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.509 1.131 . . . . 0.0 109.334 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 1.1 t-20 53.29 25.73 4.69 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.474 1.109 . . . . 0.0 109.319 -179.958 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 88.95 18.63 53.79 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.547 1.155 . . . . 0.0 111.025 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 71' ' ' VAL . . . . . 0.44 HG12 ' CD1' ' A' ' 73' ' ' PHE . 70.1 t -100.26 131.6 47.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.516 0.774 . . . . 0.0 109.286 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 2.5 t0 -68.5 84.94 0.28 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.502 1.126 . . . . 0.0 109.284 -179.978 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 73' ' ' PHE . . . . . 0.594 ' CE1' ' HB ' ' A' ' 68' ' ' VAL . 2.4 m-85 -87.89 18.33 4.23 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.513 1.133 . . . . 0.0 110.962 -179.965 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -74.75 -55.3 6.0 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.518 1.137 . . . . 0.0 109.964 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 85.0 m-20 -112.56 49.04 0.95 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.505 1.128 . . . . 0.0 109.294 -179.953 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 76' ' ' LEU . . . . . 0.587 ' CD1' ' CD1' ' A' ' 73' ' ' PHE . 6.0 mt -90.26 -166.27 1.55 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.479 1.112 . . . . 0.0 109.297 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 25.0 t70 -131.98 169.26 16.56 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.54 1.15 . . . . 0.0 109.288 179.964 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 78' ' ' HIS . . . . . . . . . . . . . 60.6 t-80 -71.3 -6.38 39.46 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.525 1.141 . . . . 0.0 109.637 179.971 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 11.9 mmtt -109.76 -36.64 5.87 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.495 1.122 . . . . 0.0 109.299 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 4.4 mm-40 -76.97 -37.11 55.82 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.506 1.129 . . . . 0.0 110.266 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 81' ' ' ALA . . . . . 0.423 ' CB ' HG13 ' A' ' 43' ' ' ILE . . . -71.26 -35.23 71.32 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.467 1.104 . . . . 0.0 109.35 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 82' ' ' VAL . . . . . 0.45 HG11 ' CE ' ' A' ' 86' ' ' LYS . 41.1 t -79.13 -36.64 18.55 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 O-C-N 124.509 1.131 . . . . 0.0 109.301 179.983 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 2.9 t30 -63.03 -46.95 85.16 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.504 1.128 . . . . 0.0 109.294 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 78.9 t -70.04 -33.26 54.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.477 1.111 . . . . 0.0 109.301 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 15.1 mt -73.12 -36.77 66.79 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.455 1.097 . . . . 0.0 109.297 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 86' ' ' LYS . . . . . 0.45 ' CE ' HG11 ' A' ' 82' ' ' VAL . 9.6 ptpt -90.29 -3.11 57.98 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.519 1.137 . . . . 0.0 109.323 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 46.7 t -59.13 -60.23 4.2 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.533 1.145 . . . . 0.0 109.995 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -120.19 -176.11 3.13 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.482 1.113 . . . . 0.0 109.989 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 17.0 mmt180 -91.9 -55.42 3.46 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.492 1.12 . . . . 0.0 110.308 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 1.4 m -90.63 121.03 32.19 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.519 1.137 . . . . 0.0 110.014 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 91' ' ' LEU . . . . . 0.439 ' O ' ' CD1' ' A' ' 20' ' ' PHE . 1.1 mt -140.48 142.67 35.28 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.557 1.161 . . . . 0.0 109.279 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 92' ' ' THR . . . . . 0.598 ' OG1' ' CE2' ' A' ' 20' ' ' PHE . 16.3 m -98.14 101.02 12.38 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.527 1.142 . . . . 0.0 110.411 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 93' ' ' ILE . . . . . 0.424 ' CD1' HG13 ' A' ' 21' ' ' ILE . 21.0 mt -89.85 143.81 10.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.505 1.128 . . . . 0.0 109.269 -179.966 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -124.76 103.23 7.98 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.505 1.128 . . . . 0.0 110.006 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 1.1 pt -100.35 167.17 2.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.533 1.146 . . . . 0.0 109.332 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 96' ' ' VAL . . . . . 0.518 ' O ' ' CG1' ' A' ' 96' ' ' VAL . 79.2 t -110.57 35.22 0.69 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.522 1.139 . . . . 0.0 109.331 179.988 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 97' ' ' ALA . . . . . 0.41 ' O ' ' O ' ' A' ' 96' ' ' VAL . . . 46.51 95.0 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.551 1.157 . . . . 0.0 109.303 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 98' ' ' ALA . . . . . 0.469 ' CB ' ' HG3' ' A' ' 101' ' ' ARG . . . 44.19 59.49 3.2 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.475 1.109 . . . . 0.0 109.295 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -62.05 -57.52 11.29 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.515 1.134 . . . . 0.0 109.286 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . -113.6 58.74 0.41 Allowed Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.52 1.137 . . . . 0.0 110.985 -179.976 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 101' ' ' ARG . . . . . 0.469 ' HG3' ' CB ' ' A' ' 98' ' ' ALA . 0.0 OUTLIER -71.02 -35.83 72.17 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.474 0.75 . . . . 0.0 110.292 -179.995 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 1.3 pt-20 -57.69 -29.58 64.79 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.522 1.139 . . . . 0.0 110.317 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 69.4 mt -53.17 -38.92 63.2 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.506 1.129 . . . . 0.0 109.295 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 104' ' ' PHE . . . . . 0.463 ' CE2' ' O ' ' A' ' 45' ' ' ILE . 65.1 m-85 . . . . . 0 C--N 1.326 -0.451 0 O-C-N 124.528 1.143 . . . . 0.0 110.975 -179.967 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 21.8 mt-10 . . . . . 0 N--CA 1.452 -0.328 0 N-CA-C 110.336 -0.246 . . . . 0.0 110.336 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -113.71 143.14 45.11 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.511 1.132 . . . . 0.0 109.316 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -95.42 128.89 42.64 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.468 1.105 . . . . 0.0 109.312 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 19' ' ' VAL . . . . . 0.447 ' O ' ' N ' ' A' ' 93' ' ' ILE . 2.5 m -129.08 130.34 68.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.461 1.101 . . . . 0.0 109.299 179.978 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 20' ' ' PHE . . . . . 0.566 ' CD2' ' OG1' ' A' ' 92' ' ' THR . 0.4 OUTLIER -107.25 115.08 29.55 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.517 1.136 . . . . 0.0 110.995 179.991 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 21' ' ' ILE . . . . . 0.457 HG21 ' CD2' ' A' ' 23' ' ' LEU . 14.6 mm -103.39 112.6 37.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.482 1.114 . . . . 0.0 109.275 179.974 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 33.5 t -105.08 137.46 42.81 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.516 1.135 . . . . 0.0 109.991 179.973 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . 0.469 HD11 ' CD2' ' A' ' 53' ' ' LEU . 3.4 mm? . . . . . 0 C--N 1.325 -0.486 0 O-C-N 124.486 1.116 . . . . 0.0 109.344 179.962 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.014 0 N-CA-C 111.015 -0.834 . . . . 0.0 111.015 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 31' ' ' CYS . . . . . 0.401 ' SG ' ' OG ' ' A' ' 54' ' ' SER . 28.5 p -120.63 146.67 46.15 Favored 'General case' 0 C--N 1.326 -0.441 0 N-CA-C 108.314 -0.995 . . . . 0.0 108.314 -179.963 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -105.11 140.38 38.37 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.513 1.133 . . . . 0.0 109.961 -179.95 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 6.6 pt -106.09 148.88 10.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.444 1.09 . . . . 0.0 109.289 -179.99 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 1.1 p -123.34 168.7 12.16 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.432 1.082 . . . . 0.0 110.04 -179.99 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 11.9 p -109.02 124.5 50.83 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.542 1.151 . . . . 0.0 109.971 179.999 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -74.23 163.24 54.48 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.502 1.126 . . . . 0.0 111.023 179.963 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 -170.98 0.86 Allowed 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.498 1.788 . . . . 0.0 111.013 179.979 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 5.5 tt -72.84 -30.14 31.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.506 1.128 . . . . 0.0 109.296 179.985 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 7.2 pt20 -77.6 -29.99 52.19 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.486 1.116 . . . . 0.0 110.318 -179.997 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 40' ' ' LYS . . . . . 0.455 ' N ' ' HD3' ' A' ' 41' ' ' PRO . 27.9 tttp -138.8 62.75 29.25 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.457 1.098 . . . . 0.0 109.262 -179.973 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 41' ' ' PRO . . . . . 0.455 ' HD3' ' N ' ' A' ' 40' ' ' LYS . 18.2 Cg_endo -75.05 145.63 31.5 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.476 1.777 . . . . 0.0 110.961 -179.988 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 155.85 -151.76 23.25 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.494 1.121 . . . . 0.0 111.042 179.985 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 43' ' ' ILE . . . . . 0.441 HG21 ' CD1' ' A' ' 65' ' ' ILE . 13.2 mm -134.32 116.12 21.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.527 0.78 . . . . 0.0 109.306 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 44' ' ' PHE . . . . . 0.589 ' CD2' ' HB2' ' A' ' 64' ' ' GLN . 1.4 m-85 -124.61 150.52 45.9 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.503 1.127 . . . . 0.0 111.026 179.984 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 45' ' ' ILE . . . . . 0.401 HG22 ' N ' ' A' ' 46' ' ' SER . 13.7 mt -75.63 136.6 24.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.482 1.114 . . . . 0.0 109.303 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 46' ' ' SER . . . . . 0.401 ' N ' HG22 ' A' ' 45' ' ' ILE . 3.1 p -100.03 -40.41 7.64 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.425 1.078 . . . . 0.0 109.999 179.982 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 57.3 t-80 -146.48 161.96 39.31 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.547 1.154 . . . . 0.0 109.608 179.989 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 75.0 t . . . . . 0 C--N 1.325 -0.491 0 O-C-N 124.578 1.174 . . . . 0.0 109.321 -179.981 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 42.6 p . . . . . 0 N--CA 1.453 -0.282 0 N-CA-C 110.01 -0.367 . . . . 0.0 110.01 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . 0.469 ' CD2' HD11 ' A' ' 23' ' ' LEU . 11.9 tp -78.9 -16.01 57.59 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.468 1.105 . . . . 0.0 109.33 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 54' ' ' SER . . . . . 0.478 ' O ' ' CG2' ' A' ' 57' ' ' VAL . 0.0 OUTLIER -94.99 -39.51 10.14 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.489 1.118 . . . . 0.0 110.003 179.968 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -66.57 -40.52 89.03 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.456 1.097 . . . . 0.0 109.301 -179.998 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . 0.449 ' HG3' ' N ' ' A' ' 57' ' ' VAL . 6.8 pt-20 -54.39 -37.33 64.9 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.517 1.135 . . . . 0.0 110.286 -179.992 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 57' ' ' VAL . . . . . 0.488 ' CG2' ' HG ' ' A' ' 59' ' ' LEU . 13.5 m -82.5 -26.7 8.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.498 1.124 . . . . 0.0 109.305 179.996 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 108.26 37.82 2.06 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.46 1.1 . . . . 0.0 111.028 -179.963 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 59' ' ' LEU . . . . . 0.488 ' HG ' ' CG2' ' A' ' 57' ' ' VAL . 35.4 mt -93.34 142.07 27.73 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.486 0.757 . . . . 0.0 109.277 -179.988 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 29.5 mt-10 -144.11 173.24 11.91 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.506 1.129 . . . . 0.0 110.304 179.971 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 69.2 mt -59.69 131.86 24.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.533 1.146 . . . . 0.0 109.337 179.971 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 62' ' ' GLY . . . . . 0.45 ' O ' ' N ' ' A' ' 64' ' ' GLN . . . 114.98 -41.73 2.1 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.491 1.119 . . . . 0.0 110.975 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 84.4 m-20 -44.77 96.35 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.472 0.748 . . . . 0.0 109.338 -179.999 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 64' ' ' GLN . . . . . 0.589 ' HB2' ' CD2' ' A' ' 44' ' ' PHE . 48.3 tt0 -82.89 122.61 28.47 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.54 1.15 . . . . 0.0 110.314 -179.982 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 65' ' ' ILE . . . . . 0.588 ' CG2' ' CG2' ' A' ' 68' ' ' VAL . 2.5 mp -73.43 110.5 6.99 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.464 1.102 . . . . 0.0 109.262 -179.946 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 20.9 m -99.96 -22.36 4.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.476 1.11 . . . . 0.0 109.308 179.978 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . 0.425 ' HG2' ' N ' ' A' ' 68' ' ' VAL . 32.9 tt0 -152.88 153.9 33.99 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.51 1.131 . . . . 0.0 110.291 179.975 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 68' ' ' VAL . . . . . 0.596 ' HB ' ' CE1' ' A' ' 73' ' ' PHE . 85.6 t -152.79 114.7 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.498 1.124 . . . . 0.0 109.327 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 1.1 t-20 56.22 19.68 4.04 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.547 1.155 . . . . 0.0 109.332 -179.948 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 94.56 10.98 57.53 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.445 1.09 . . . . 0.0 110.986 179.986 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 71' ' ' VAL . . . . . 0.42 ' O ' ' HA ' ' A' ' 67' ' ' GLU . 63.8 t -90.54 138.97 18.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.478 0.752 . . . . 0.0 109.285 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 1.1 t70 -75.24 91.15 2.62 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.463 1.102 . . . . 0.0 109.265 -179.997 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 73' ' ' PHE . . . . . 0.603 ' CD1' ' CD1' ' A' ' 76' ' ' LEU . 3.0 m-85 -92.17 12.94 20.51 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.472 1.108 . . . . 0.0 111.003 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -60.72 -58.12 9.81 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.541 1.151 . . . . 0.0 110.019 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -118.97 59.48 0.83 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.467 1.105 . . . . 0.0 109.275 -179.998 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 76' ' ' LEU . . . . . 0.603 ' CD1' ' CD1' ' A' ' 73' ' ' PHE . 6.7 mt -94.91 -167.37 1.62 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.506 1.129 . . . . 0.0 109.31 179.971 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 45.1 t0 -132.0 170.84 14.36 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.466 1.103 . . . . 0.0 109.345 179.954 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 78' ' ' HIS . . . . . . . . . . . . . 63.4 t-80 -71.65 -7.23 46.61 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.519 1.137 . . . . 0.0 109.666 179.977 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -107.47 -38.05 6.03 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.478 1.111 . . . . 0.0 109.322 179.996 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 2.6 mm-40 -77.04 -37.38 54.93 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.51 1.131 . . . . 0.0 110.295 -179.98 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -72.48 -34.61 67.81 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.567 1.167 . . . . 0.0 109.329 179.97 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 82' ' ' VAL . . . . . 0.455 ' O ' ' N ' ' A' ' 86' ' ' LYS . 39.5 t -77.42 -42.56 30.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.459 1.1 . . . . 0.0 109.264 -179.985 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 40.5 t30 -60.28 -45.8 92.06 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.496 1.123 . . . . 0.0 109.296 179.984 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 76.7 t -70.54 -30.93 44.65 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.535 1.147 . . . . 0.0 109.288 179.997 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 85' ' ' LEU . . . . . 0.421 HD23 ' CG1' ' A' ' 68' ' ' VAL . 19.0 mt -75.46 -33.06 60.83 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.486 1.116 . . . . 0.0 109.293 -179.968 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 86' ' ' LYS . . . . . 0.455 ' N ' ' O ' ' A' ' 82' ' ' VAL . 0.3 OUTLIER -91.52 -1.72 57.42 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.507 1.129 . . . . 0.0 109.319 179.976 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 1.7 t -54.66 -68.25 0.2 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.505 1.128 . . . . 0.0 110.005 -179.983 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -122.48 179.52 4.56 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.452 1.095 . . . . 0.0 110.016 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 4.2 mmt180 -85.7 -57.24 3.13 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.504 1.128 . . . . 0.0 110.294 -179.995 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -80.88 107.59 13.82 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.463 1.102 . . . . 0.0 109.98 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 1.1 mt -131.95 142.56 49.66 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.549 1.156 . . . . 0.0 109.312 -179.986 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 92' ' ' THR . . . . . 0.566 ' OG1' ' CD2' ' A' ' 20' ' ' PHE . 1.1 m -102.37 101.74 12.01 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.424 1.077 . . . . 0.0 110.419 179.978 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 93' ' ' ILE . . . . . 0.447 ' N ' ' O ' ' A' ' 19' ' ' VAL . 19.4 mt -89.24 138.55 19.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.485 1.116 . . . . 0.0 109.301 -179.978 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -121.36 104.41 9.68 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.536 1.148 . . . . 0.0 110.03 179.984 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 1.1 pt -100.75 172.14 1.29 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.519 1.137 . . . . 0.0 109.306 -179.98 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 96' ' ' VAL . . . . . 0.49 ' O ' ' CG1' ' A' ' 96' ' ' VAL . 75.7 t -112.36 32.92 1.11 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.437 1.086 . . . . 0.0 109.288 179.97 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 97' ' ' ALA . . . . . 0.421 ' O ' ' O ' ' A' ' 96' ' ' VAL . . . 45.72 95.4 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.486 1.117 . . . . 0.0 109.287 179.936 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . 44.98 59.94 3.21 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.504 1.127 . . . . 0.0 109.25 179.996 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 99' ' ' ALA . . . . . 0.448 ' CB ' ' HB ' ' A' ' 96' ' ' VAL . . . -65.4 -68.38 0.37 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.509 1.131 . . . . 0.0 109.286 179.962 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . -101.57 57.01 0.68 Allowed Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.489 1.118 . . . . 0.0 110.998 -179.99 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -71.52 -20.15 62.08 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.492 0.76 . . . . 0.0 110.329 179.949 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -76.02 -14.54 60.22 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.509 1.131 . . . . 0.0 110.307 179.968 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 103' ' ' LEU . . . . . 0.413 HD13 ' CE2' ' A' ' 44' ' ' PHE . 26.2 mt -68.37 -16.64 64.0 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.475 1.109 . . . . 0.0 109.292 179.98 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 104' ' ' PHE . . . . . . . . . . . . . 58.4 m-85 . . . . . 0 C--N 1.325 -0.487 0 O-C-N 124.481 1.113 . . . . 0.0 110.946 -179.956 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 11.3 mt-10 . . . . . 0 N--CA 1.453 -0.303 0 N-CA-C 110.312 -0.255 . . . . 0.0 110.312 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . 0.459 ' CE ' HD11 ' A' ' 95' ' ' ILE . 0.1 OUTLIER -130.0 147.46 51.76 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.46 1.1 . . . . 0.0 109.368 179.999 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . 0.458 ' HD3' ' CG2' ' A' ' 92' ' ' THR . 0.0 OUTLIER -98.83 118.65 36.06 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.481 1.113 . . . . 0.0 109.266 -179.923 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 0.7 OUTLIER -126.16 123.46 63.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.491 1.12 . . . . 0.0 109.285 -179.969 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 20' ' ' PHE . . . . . 0.59 ' CE2' ' OG1' ' A' ' 92' ' ' THR . 0.1 OUTLIER -106.81 113.64 27.26 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.489 1.118 . . . . 0.0 111.001 179.982 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 24.8 mm -95.95 127.11 48.3 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.461 1.101 . . . . 0.0 109.345 179.988 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -121.03 123.53 42.6 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.526 1.141 . . . . 0.0 110.009 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 4.2 mm? . . . . . 0 C--N 1.325 -0.466 0 O-C-N 124.476 1.11 . . . . 0.0 109.311 -179.995 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.959 0 N-CA-C 111.01 -0.836 . . . . 0.0 111.01 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 31' ' ' CYS . . . . . 0.402 ' SG ' ' OG ' ' A' ' 54' ' ' SER . 9.1 p -125.91 142.19 51.63 Favored 'General case' 0 C--N 1.325 -0.473 0 N-CA-C 108.313 -0.995 . . . . 0.0 108.313 179.972 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -101.04 138.85 37.54 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.497 1.123 . . . . 0.0 109.959 -179.963 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 9.6 pt -115.12 145.08 21.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.532 1.145 . . . . 0.0 109.293 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 1.3 t -130.59 169.14 16.0 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.523 1.14 . . . . 0.0 110.015 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 36.2 p -105.17 131.62 52.42 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.444 1.09 . . . . 0.0 110.029 179.973 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -76.57 170.47 54.96 Favored Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.467 1.104 . . . . 0.0 111.026 179.974 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 -174.15 1.84 Allowed 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.48 1.779 . . . . 0.0 111.004 -179.969 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 0.7 OUTLIER -71.0 -29.81 38.66 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.484 1.115 . . . . 0.0 109.302 -179.969 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 6.7 pt20 -77.27 -30.36 54.29 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.486 1.116 . . . . 0.0 110.304 -179.99 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 40' ' ' LYS . . . . . 0.454 ' N ' ' HD3' ' A' ' 41' ' ' PRO . 24.3 tttp -139.0 62.43 26.29 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.504 1.127 . . . . 0.0 109.331 179.993 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 41' ' ' PRO . . . . . 0.454 ' HD3' ' N ' ' A' ' 40' ' ' LYS . 18.6 Cg_endo -74.92 145.31 31.6 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.502 1.791 . . . . 0.0 111.025 179.969 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 154.6 -154.81 25.78 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.502 1.126 . . . . 0.0 110.963 179.962 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 43' ' ' ILE . . . . . 0.414 HG22 ' CD1' ' A' ' 65' ' ' ILE . 6.7 mm -127.12 118.15 49.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.487 0.757 . . . . 0.0 109.333 -179.966 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 44' ' ' PHE . . . . . 0.567 ' CD2' ' HB2' ' A' ' 64' ' ' GLN . 2.7 m-85 -128.76 137.55 51.61 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.518 1.136 . . . . 0.0 111.03 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 45' ' ' ILE . . . . . 0.594 ' O ' ' CZ ' ' A' ' 104' ' ' PHE . 21.6 mt -63.92 140.28 19.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.581 1.176 . . . . 0.0 109.275 -179.955 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 46' ' ' SER . . . . . 0.508 ' HA ' ' CE1' ' A' ' 104' ' ' PHE . 0.0 OUTLIER -107.1 -34.32 7.19 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.494 1.121 . . . . 0.0 109.958 179.99 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 47' ' ' HIS . . . . . 0.41 ' HD1' ' N ' ' A' ' 48' ' ' VAL . 24.6 t-80 -161.06 147.29 14.69 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.483 1.114 . . . . 0.0 109.574 179.997 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 48' ' ' VAL . . . . . 0.443 ' CG2' ' HB2' ' A' ' 54' ' ' SER . 1.3 p . . . . . 0 C--N 1.324 -0.527 0 O-C-N 124.515 1.135 . . . . 0.0 109.311 179.991 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 90.1 p . . . . . 0 N--CA 1.453 -0.288 0 N-CA-C 109.967 -0.383 . . . . 0.0 109.967 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . 0.423 ' C ' ' HG2' ' A' ' 56' ' ' GLU . 0.5 OUTLIER -81.69 -10.17 59.46 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.506 1.128 . . . . 0.0 109.321 179.97 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 54' ' ' SER . . . . . 0.516 ' O ' ' CG2' ' A' ' 57' ' ' VAL . 0.7 OUTLIER -95.61 -47.47 6.21 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.517 1.136 . . . . 0.0 109.999 179.986 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -56.05 -37.14 68.86 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.452 1.095 . . . . 0.0 109.323 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . 0.45 ' HG3' ' N ' ' A' ' 57' ' ' VAL . 2.7 pt-20 -57.4 -31.82 66.21 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.507 1.13 . . . . 0.0 110.297 179.962 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 57' ' ' VAL . . . . . 0.516 ' CG2' ' O ' ' A' ' 54' ' ' SER . 3.6 m -89.12 -22.43 6.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.457 1.098 . . . . 0.0 109.297 -179.968 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 102.45 32.51 4.83 Favored Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.519 1.137 . . . . 0.0 110.973 179.961 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 59' ' ' LEU . . . . . 0.472 ' CD1' ' HB3' ' A' ' 54' ' ' SER . 12.5 mt -80.0 141.99 35.42 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.52 0.777 . . . . 0.0 109.326 179.935 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 17.0 mt-10 -142.91 172.97 11.98 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.484 1.115 . . . . 0.0 110.289 -179.966 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 25.1 mt -67.93 129.46 32.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.513 1.133 . . . . 0.0 109.263 179.976 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 116.81 -21.33 11.34 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.51 1.131 . . . . 0.0 111.035 179.98 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 74.1 m-20 -65.98 98.33 0.42 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.507 0.769 . . . . 0.0 109.333 179.967 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 64' ' ' GLN . . . . . 0.567 ' HB2' ' CD2' ' A' ' 44' ' ' PHE . 49.3 tt0 -83.08 120.66 26.04 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.554 1.159 . . . . 0.0 110.261 -179.951 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 65' ' ' ILE . . . . . 0.611 ' CG2' ' CG2' ' A' ' 68' ' ' VAL . 28.5 mt -71.72 106.2 2.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.474 1.109 . . . . 0.0 109.319 179.984 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 15.0 m -95.36 -23.37 5.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.472 1.108 . . . . 0.0 109.29 -179.99 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . 0.418 ' HG2' ' N ' ' A' ' 68' ' ' VAL . 33.3 tt0 -153.16 152.81 31.67 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.512 1.132 . . . . 0.0 110.289 179.991 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 68' ' ' VAL . . . . . 0.611 ' CG2' ' CG2' ' A' ' 65' ' ' ILE . 87.6 t -148.67 114.39 0.8 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.529 1.143 . . . . 0.0 109.269 -179.973 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 1.5 t-20 57.8 18.05 4.61 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.533 1.146 . . . . 0.0 109.287 179.992 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 99.73 2.67 56.28 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.561 1.163 . . . . 0.0 111.006 179.98 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 71' ' ' VAL . . . . . 0.464 ' CG2' ' O ' ' A' ' 68' ' ' VAL . 48.1 t -77.35 150.02 5.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.501 0.765 . . . . 0.0 109.285 -179.959 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -87.96 88.43 7.65 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.53 1.144 . . . . 0.0 109.317 -179.968 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 73' ' ' PHE . . . . . 0.643 ' CD1' ' CD1' ' A' ' 76' ' ' LEU . 3.2 m-85 -87.99 38.74 0.86 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.525 1.141 . . . . 0.0 111.013 -179.988 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 12.1 t -75.13 -61.67 1.81 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.452 1.095 . . . . 0.0 110.036 179.985 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 1.2 p30 -121.52 48.54 1.66 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.519 1.137 . . . . 0.0 109.274 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 76' ' ' LEU . . . . . 0.643 ' CD1' ' CD1' ' A' ' 73' ' ' PHE . 6.5 mt -76.6 -167.04 0.74 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.488 1.118 . . . . 0.0 109.28 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 39.1 t70 -136.73 171.12 14.97 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.524 1.14 . . . . 0.0 109.276 -179.982 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 78' ' ' HIS . . . . . . . . . . . . . 63.3 t-80 -71.91 -7.17 46.97 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.497 1.123 . . . . 0.0 109.566 -179.975 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 18.8 mttt -107.29 -34.93 6.95 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.551 1.157 . . . . 0.0 109.288 179.998 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 2.3 mm-40 -80.41 -37.64 31.76 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.501 1.126 . . . . 0.0 110.321 179.99 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 81' ' ' ALA . . . . . 0.418 ' O ' ' CD1' ' A' ' 85' ' ' LEU . . . -72.99 -28.7 62.53 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.463 1.102 . . . . 0.0 109.321 179.983 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 36.1 t -81.46 -40.27 17.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.503 1.127 . . . . 0.0 109.299 -179.975 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 83' ' ' ASN . . . . . 0.451 ' HA ' ' CE ' ' A' ' 86' ' ' LYS . 2.1 t30 -61.69 -42.89 99.55 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.458 1.099 . . . . 0.0 109.325 179.935 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 84' ' ' VAL . . . . . 0.46 ' CG1' HG22 ' A' ' 71' ' ' VAL . 66.1 t -71.55 -32.31 45.49 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.499 1.125 . . . . 0.0 109.306 -179.983 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 85' ' ' LEU . . . . . 0.418 ' CD1' ' O ' ' A' ' 81' ' ' ALA . 24.9 mt -75.14 -34.14 61.61 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.487 1.117 . . . . 0.0 109.279 -179.991 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 86' ' ' LYS . . . . . 0.451 ' CE ' ' HA ' ' A' ' 83' ' ' ASN . 1.4 ptpt -89.41 -4.19 58.11 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.478 1.112 . . . . 0.0 109.288 -179.959 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 1.5 t -52.75 -66.47 0.38 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.52 1.137 . . . . 0.0 109.973 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 1.1 t -123.54 179.96 4.57 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.502 1.126 . . . . 0.0 109.996 -179.969 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 4.6 mmt180 -81.63 -56.18 4.18 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.52 1.138 . . . . 0.0 110.298 179.965 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 3.6 m -86.02 121.28 28.41 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.52 1.138 . . . . 0.0 109.977 -179.958 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 91' ' ' LEU . . . . . 0.403 ' O ' ' CD1' ' A' ' 20' ' ' PHE . 1.2 mt -138.52 146.15 41.6 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.535 1.147 . . . . 0.0 109.321 179.962 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 92' ' ' THR . . . . . 0.59 ' OG1' ' CE2' ' A' ' 20' ' ' PHE . 76.2 m -104.32 101.92 11.62 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.526 1.141 . . . . 0.0 110.398 -179.986 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 13.3 mt -89.95 133.6 31.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.503 1.127 . . . . 0.0 109.277 -179.973 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -117.95 104.29 10.76 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.491 1.12 . . . . 0.0 109.98 -179.98 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 95' ' ' ILE . . . . . 0.459 HD11 ' CE ' ' A' ' 17' ' ' LYS . 1.4 pt -104.22 173.86 1.3 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.54 1.15 . . . . 0.0 109.319 179.992 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 96' ' ' VAL . . . . . 0.495 ' O ' ' CG1' ' A' ' 96' ' ' VAL . 74.3 t -112.45 33.97 0.97 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.48 1.112 . . . . 0.0 109.275 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 97' ' ' ALA . . . . . 0.417 ' O ' ' O ' ' A' ' 96' ' ' VAL . . . 43.41 93.25 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.473 1.108 . . . . 0.0 109.27 179.987 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 98' ' ' ALA . . . . . 0.546 ' CB ' ' NH1' ' A' ' 101' ' ' ARG . . . 51.12 56.65 7.65 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.486 1.116 . . . . 0.0 109.324 -179.979 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 99' ' ' ALA . . . . . 0.483 ' CB ' ' HB ' ' A' ' 96' ' ' VAL . . . -61.63 -67.45 0.41 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.517 1.135 . . . . 0.0 109.3 -179.959 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . -106.65 60.33 0.36 Allowed Glycine 0 CA--C 1.531 1.041 0 O-C-N 124.527 1.142 . . . . 0.0 111.012 179.979 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 101' ' ' ARG . . . . . 0.546 ' NH1' ' CB ' ' A' ' 98' ' ' ALA . 0.0 OUTLIER -70.81 -24.77 62.62 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.513 0.772 . . . . 0.0 110.316 179.983 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -71.4 -5.7 34.68 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.532 1.145 . . . . 0.0 110.261 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 103' ' ' LEU . . . . . 0.466 HD12 ' CE2' ' A' ' 44' ' ' PHE . 30.6 mt -79.16 -17.3 55.21 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.541 1.15 . . . . 0.0 109.322 179.978 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 104' ' ' PHE . . . . . 0.594 ' CZ ' ' O ' ' A' ' 45' ' ' ILE . 52.3 m-85 . . . . . 0 C--N 1.325 -0.465 0 O-C-N 124.451 1.094 . . . . 0.0 111.041 179.973 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 17.6 mt-10 . . . . . 0 N--CA 1.453 -0.279 0 N-CA-C 110.29 -0.263 . . . . 0.0 110.29 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . 0.41 ' CE ' HD12 ' A' ' 95' ' ' ILE . 0.6 OUTLIER -112.29 154.78 25.14 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.537 1.148 . . . . 0.0 109.315 179.962 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -105.27 118.76 37.37 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.495 1.122 . . . . 0.0 109.263 -179.956 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 19' ' ' VAL . . . . . 0.415 ' O ' ' N ' ' A' ' 93' ' ' ILE . 0.0 OUTLIER -120.12 124.6 73.0 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.438 1.086 . . . . 0.0 109.254 -179.988 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 20' ' ' PHE . . . . . 0.479 ' CD1' ' O ' ' A' ' 91' ' ' LEU . 0.1 OUTLIER -101.73 112.11 24.59 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.466 1.104 . . . . 0.0 111.045 179.938 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 20.2 mm -99.11 121.65 49.95 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.507 1.129 . . . . 0.0 109.348 -179.997 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 12.3 t -110.93 140.75 45.16 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.491 1.12 . . . . 0.0 109.991 -179.983 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 4.2 mm? . . . . . 0 C--N 1.325 -0.472 0 O-C-N 124.497 1.123 . . . . 0.0 109.27 179.994 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.971 0 N-CA-C 111.017 -0.833 . . . . 0.0 111.017 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 31' ' ' CYS . . . . . 0.431 ' CB ' HG23 ' A' ' 48' ' ' VAL . 28.7 p -121.56 147.4 45.87 Favored 'General case' 0 C--N 1.325 -0.48 0 N-CA-C 108.319 -0.993 . . . . 0.0 108.319 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -111.14 141.35 44.76 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.55 1.156 . . . . 0.0 109.987 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 33' ' ' ILE . . . . . 0.458 HD11 ' CG2' ' A' ' 82' ' ' VAL . 11.3 pt -109.4 145.24 16.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.453 1.095 . . . . 0.0 109.276 -179.966 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 48.5 m -126.86 152.58 46.83 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.523 1.14 . . . . 0.0 109.999 -179.999 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 11.2 p -80.19 150.24 30.21 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.497 1.123 . . . . 0.0 109.968 -179.977 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -103.21 163.27 15.82 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.54 1.15 . . . . 0.0 110.977 -179.966 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.04 -170.2 0.75 Allowed 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.463 1.77 . . . . 0.0 111.007 179.963 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 5.5 tt -74.04 -29.75 26.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.458 1.099 . . . . 0.0 109.307 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 11.8 pt20 -79.35 -28.66 42.03 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.522 1.139 . . . . 0.0 110.288 179.977 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 40' ' ' LYS . . . . . 0.476 ' N ' ' HD3' ' A' ' 41' ' ' PRO . 0.0 OUTLIER -136.41 61.56 38.82 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.541 1.151 . . . . 0.0 109.302 179.984 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 41' ' ' PRO . . . . . 0.476 ' HD3' ' N ' ' A' ' 40' ' ' LYS . 18.3 Cg_endo -75.0 146.64 32.88 Favored 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.479 1.778 . . . . 0.0 111.0 179.988 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 138.83 -164.67 25.74 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.523 1.139 . . . . 0.0 111.017 179.998 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 43' ' ' ILE . . . . . 0.477 ' O ' ' CG ' ' A' ' 64' ' ' GLN . 30.3 mm -107.84 125.93 64.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.527 0.78 . . . . 0.0 109.296 179.981 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 44' ' ' PHE . . . . . 0.571 ' CD2' ' HB2' ' A' ' 64' ' ' GLN . 19.4 m-85 -133.55 128.7 35.82 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.523 1.139 . . . . 0.0 111.03 179.956 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 45' ' ' ILE . . . . . 0.58 ' O ' ' CE2' ' A' ' 104' ' ' PHE . 5.1 mt -57.7 151.97 3.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.46 1.1 . . . . 0.0 109.249 -179.982 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 5.4 p -120.49 -40.87 2.63 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.468 1.105 . . . . 0.0 110.042 179.961 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 65.3 t-80 -146.72 157.42 43.69 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.517 1.136 . . . . 0.0 109.556 179.986 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 48' ' ' VAL . . . . . 0.431 HG23 ' CB ' ' A' ' 31' ' ' CYS . 37.4 t . . . . . 0 C--N 1.325 -0.467 0 O-C-N 124.457 1.098 . . . . 0.0 109.304 179.973 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 1.3 p . . . . . 0 N--CA 1.453 -0.278 0 N-CA-C 109.994 -0.373 . . . . 0.0 109.994 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . 0.474 ' O ' ' CG ' ' A' ' 56' ' ' GLU . 0.0 OUTLIER -82.98 -27.08 30.71 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.573 1.171 . . . . 0.0 109.335 179.978 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 54' ' ' SER . . . . . 0.465 ' CB ' ' HB2' ' A' ' 59' ' ' LEU . 0.0 OUTLIER -94.61 -28.86 15.16 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.527 1.142 . . . . 0.0 110.03 179.966 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -73.82 -10.83 60.07 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.5 1.125 . . . . 0.0 109.294 -179.996 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . 0.474 ' CG ' ' O ' ' A' ' 53' ' ' LEU . 2.9 pt-20 -90.59 -34.56 15.44 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.522 1.139 . . . . 0.0 110.286 179.993 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 57' ' ' VAL . . . . . 0.411 HG23 ' N ' ' A' ' 58' ' ' GLY . 2.2 m -84.79 -23.86 7.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.508 1.13 . . . . 0.0 109.28 -179.988 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 58' ' ' GLY . . . . . 0.411 ' N ' HG23 ' A' ' 57' ' ' VAL . . . 106.71 23.97 6.91 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.501 1.126 . . . . 0.0 111.003 -179.977 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 59' ' ' LEU . . . . . 0.465 ' HB2' ' CB ' ' A' ' 54' ' ' SER . 13.5 mt -81.08 137.61 35.99 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.508 0.77 . . . . 0.0 109.325 179.97 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 19.5 mt-10 -140.53 173.07 11.86 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.548 1.155 . . . . 0.0 110.328 179.953 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 61' ' ' ILE . . . . . 0.425 HG21 ' CD2' ' A' ' 104' ' ' PHE . 67.1 mt -56.4 130.7 19.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.521 1.138 . . . . 0.0 109.302 179.962 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 116.37 -36.53 3.76 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.511 1.132 . . . . 0.0 110.98 180.0 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 63' ' ' ASP . . . . . 0.418 ' OD2' ' CD2' ' A' ' 59' ' ' LEU . 82.1 m-20 -56.15 98.56 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.484 0.755 . . . . 0.0 109.326 -179.981 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 64' ' ' GLN . . . . . 0.571 ' HB2' ' CD2' ' A' ' 44' ' ' PHE . 4.7 tt0 -83.47 134.48 34.85 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.523 1.14 . . . . 0.0 110.319 -179.986 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 65' ' ' ILE . . . . . 0.606 ' CG2' ' CG2' ' A' ' 68' ' ' VAL . 26.6 mt -87.11 110.64 20.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.485 1.116 . . . . 0.0 109.307 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 17.3 m -102.08 -22.19 4.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.493 1.12 . . . . 0.0 109.352 179.947 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . 0.416 ' HG2' ' N ' ' A' ' 68' ' ' VAL . 25.0 tt0 -153.05 147.13 25.52 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.519 1.137 . . . . 0.0 110.281 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 68' ' ' VAL . . . . . 0.606 ' CG2' ' CG2' ' A' ' 65' ' ' ILE . 98.5 t -145.73 129.11 10.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.491 1.12 . . . . 0.0 109.285 -179.967 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 1.1 t-20 43.92 31.8 0.54 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.506 1.129 . . . . 0.0 109.32 179.971 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 77.66 41.08 20.64 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.499 1.124 . . . . 0.0 111.039 -179.928 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 71' ' ' VAL . . . . . 0.495 ' CG2' ' O ' ' A' ' 68' ' ' VAL . 64.2 t -115.46 157.51 16.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.494 0.761 . . . . 0.0 109.308 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 2.0 t0 -91.51 88.69 6.89 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.51 1.131 . . . . 0.0 109.325 179.975 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 73' ' ' PHE . . . . . 0.64 ' CD1' ' CD1' ' A' ' 76' ' ' LEU . 3.3 m-85 -90.78 21.72 3.95 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.467 1.104 . . . . 0.0 110.96 -179.963 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -74.79 -50.65 16.47 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.535 1.147 . . . . 0.0 109.976 -179.977 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 66.4 m-80 -119.64 50.22 1.28 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.469 1.105 . . . . 0.0 109.293 179.985 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 76' ' ' LEU . . . . . 0.64 ' CD1' ' CD1' ' A' ' 73' ' ' PHE . 7.0 mt -92.58 -167.43 1.75 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.506 1.129 . . . . 0.0 109.31 179.976 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 28.1 t70 -133.99 170.92 14.92 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.499 1.124 . . . . 0.0 109.339 179.982 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 78' ' ' HIS . . . . . . . . . . . . . 37.9 t-80 -70.61 -7.19 42.27 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.497 1.123 . . . . 0.0 109.566 -179.96 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -107.72 -39.24 5.64 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.498 1.124 . . . . 0.0 109.285 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 80' ' ' GLU . . . . . 0.422 ' O ' ' CG2' ' A' ' 84' ' ' VAL . 5.1 mt-10 -75.94 -41.02 52.88 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.531 1.144 . . . . 0.0 110.3 179.988 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 81' ' ' ALA . . . . . 0.439 ' CB ' HG13 ' A' ' 43' ' ' ILE . . . -66.07 -24.11 66.66 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.481 1.113 . . . . 0.0 109.342 179.988 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 82' ' ' VAL . . . . . 0.491 ' CG1' ' CE ' ' A' ' 86' ' ' LYS . 35.5 t -89.92 -50.33 13.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.526 1.141 . . . . 0.0 109.265 179.974 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 2.0 m-20 -50.01 -41.2 46.71 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.516 1.135 . . . . 0.0 109.267 -179.957 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 84' ' ' VAL . . . . . 0.422 ' CG2' ' O ' ' A' ' 80' ' ' GLU . 75.4 t -65.92 -25.11 35.36 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.496 1.122 . . . . 0.0 109.294 -179.969 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 85' ' ' LEU . . . . . 0.464 ' N ' ' O ' ' A' ' 82' ' ' VAL . 55.7 mt -80.75 -34.63 34.19 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.542 1.152 . . . . 0.0 109.298 -179.975 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 86' ' ' LYS . . . . . 0.491 ' CE ' ' CG1' ' A' ' 82' ' ' VAL . 4.0 mttm -74.11 -24.93 59.52 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.517 1.136 . . . . 0.0 109.316 179.984 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 87' ' ' SER . . . . . 0.444 ' C ' ' O ' ' A' ' 86' ' ' LYS . 15.1 t -35.3 -70.78 0.08 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.522 1.139 . . . . 0.0 110.01 179.978 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -125.82 -171.58 2.41 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.46 1.1 . . . . 0.0 109.966 -179.956 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 4.2 mmt180 -93.93 -52.53 4.38 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.457 1.098 . . . . 0.0 110.315 -179.998 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -86.65 109.74 19.38 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.435 1.084 . . . . 0.0 109.99 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 91' ' ' LEU . . . . . 0.479 ' O ' ' CD1' ' A' ' 20' ' ' PHE . 1.1 mp -128.53 153.75 46.86 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.489 1.118 . . . . 0.0 109.346 179.965 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 3.3 m -110.28 100.03 8.97 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.501 1.125 . . . . 0.0 110.393 -179.967 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 93' ' ' ILE . . . . . 0.415 ' N ' ' O ' ' A' ' 19' ' ' VAL . 11.5 mt -89.56 132.17 34.97 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.451 1.094 . . . . 0.0 109.316 179.985 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -111.7 101.44 9.81 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.478 1.111 . . . . 0.0 110.001 -179.988 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 95' ' ' ILE . . . . . 0.41 HD12 ' CE ' ' A' ' 17' ' ' LYS . 1.1 pt -100.59 166.68 2.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.573 1.171 . . . . 0.0 109.253 -179.981 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 96' ' ' VAL . . . . . 0.492 ' O ' ' CG1' ' A' ' 96' ' ' VAL . 74.4 t -108.33 32.85 0.79 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.547 1.154 . . . . 0.0 109.287 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . 46.09 94.02 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.512 1.133 . . . . 0.0 109.33 179.962 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . 48.42 56.89 6.84 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.491 1.119 . . . . 0.0 109.242 179.99 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 99' ' ' ALA . . . . . 0.432 ' CB ' ' HB ' ' A' ' 96' ' ' VAL . . . -60.28 -74.69 0.07 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.488 1.118 . . . . 0.0 109.34 179.939 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . -97.81 55.38 1.18 Allowed Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.497 1.123 . . . . 0.0 111.062 179.949 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -63.82 -42.33 97.69 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.468 0.746 . . . . 0.0 110.279 -179.96 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 7.9 pt-20 -42.44 -35.48 1.05 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.468 1.105 . . . . 0.0 110.283 -179.966 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 103' ' ' LEU . . . . . 0.561 HD11 ' CD2' ' A' ' 44' ' ' PHE . 73.5 mt -46.39 -43.57 16.4 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.53 1.144 . . . . 0.0 109.246 -179.988 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 104' ' ' PHE . . . . . 0.58 ' CE2' ' O ' ' A' ' 45' ' ' ILE . 6.1 m-85 . . . . . 0 C--N 1.324 -0.506 0 O-C-N 124.507 1.129 . . . . 0.0 111.021 179.996 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 17.9 mt-10 . . . . . 0 N--CA 1.453 -0.314 0 N-CA-C 110.279 -0.267 . . . . 0.0 110.279 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . 0.449 ' CE ' HD13 ' A' ' 95' ' ' ILE . 0.6 OUTLIER -118.57 146.73 44.37 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.519 1.137 . . . . 0.0 109.295 179.995 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -94.98 129.83 41.89 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.498 1.124 . . . . 0.0 109.316 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -131.86 118.24 37.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.515 1.134 . . . . 0.0 109.253 -179.943 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -95.83 112.76 24.41 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.516 1.135 . . . . 0.0 111.027 179.974 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 21' ' ' ILE . . . . . 0.44 ' CG1' HD11 ' A' ' 93' ' ' ILE . 33.3 mm -96.68 120.61 46.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.46 1.1 . . . . 0.0 109.289 -179.973 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 22' ' ' SER . . . . . 0.437 ' O ' ' CD1' ' A' ' 53' ' ' LEU . 6.4 t -112.26 109.01 18.43 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.537 1.148 . . . . 0.0 110.015 179.979 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 3.3 mm? . . . . . 0 C--N 1.325 -0.474 0 O-C-N 124.422 1.076 . . . . 0.0 109.294 -179.993 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.981 0 N-CA-C 111.014 -0.834 . . . . 0.0 111.014 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 26.7 p -111.18 166.79 10.78 Favored 'General case' 0 C--N 1.325 -0.472 0 N-CA-C 108.29 -1.004 . . . . 0.0 108.29 179.983 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -124.81 142.05 51.69 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.508 1.13 . . . . 0.0 110.001 -179.994 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 33' ' ' ILE . . . . . 0.452 HD11 ' CG2' ' A' ' 82' ' ' VAL . 6.6 pt -116.51 149.38 18.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.502 1.126 . . . . 0.0 109.296 179.953 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -137.87 169.64 17.43 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.477 1.111 . . . . 0.0 110.006 179.978 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 78.2 p -93.32 143.38 26.33 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.481 1.113 . . . . 0.0 109.976 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -94.43 165.13 26.01 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.511 1.132 . . . . 0.0 110.994 179.974 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.96 -169.12 0.58 Allowed 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.497 1.788 . . . . 0.0 111.006 179.988 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 0.7 OUTLIER -75.1 -30.29 23.03 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.448 1.093 . . . . 0.0 109.316 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 12.4 pt20 -78.64 -28.92 45.59 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.509 1.131 . . . . 0.0 110.3 -179.985 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 40' ' ' LYS . . . . . 0.472 ' N ' ' HD3' ' A' ' 41' ' ' PRO . 0.0 OUTLIER -136.44 61.76 39.69 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.473 1.108 . . . . 0.0 109.283 -179.992 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 41' ' ' PRO . . . . . 0.472 ' HD3' ' N ' ' A' ' 40' ' ' LYS . 18.2 Cg_endo -75.07 144.97 30.65 Favored 'Trans proline' 0 C--N 1.36 1.132 0 O-C-N 124.489 1.784 . . . . 0.0 110.956 -179.97 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 142.71 -157.62 26.79 Favored Glycine 0 CA--C 1.531 1.044 0 O-C-N 124.517 1.136 . . . . 0.0 110.977 179.972 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 43' ' ' ILE . . . . . 0.411 ' O ' ' N ' ' A' ' 65' ' ' ILE . 20.5 mm -117.08 126.14 74.3 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.506 0.768 . . . . 0.0 109.305 -179.987 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 44' ' ' PHE . . . . . 0.584 ' CD2' ' HB2' ' A' ' 64' ' ' GLN . 2.0 m-85 -133.94 139.17 45.95 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.469 1.105 . . . . 0.0 110.988 -179.977 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 45' ' ' ILE . . . . . 0.426 ' O ' ' CZ ' ' A' ' 104' ' ' PHE . 12.9 mt -67.97 141.69 17.36 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.462 1.101 . . . . 0.0 109.278 179.984 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 46' ' ' SER . . . . . 0.537 ' HA ' ' CE2' ' A' ' 104' ' ' PHE . 1.0 OUTLIER -103.78 -37.13 7.59 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.543 1.152 . . . . 0.0 109.955 -179.998 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 66.5 t-80 -153.99 163.37 40.17 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.487 1.117 . . . . 0.0 109.559 -179.972 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 55.9 t . . . . . 0 C--N 1.326 -0.456 0 O-C-N 124.477 1.111 . . . . 0.0 109.291 179.994 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 30.0 p . . . . . 0 N--CA 1.453 -0.296 0 N-CA-C 109.972 -0.381 . . . . 0.0 109.972 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . 0.437 ' CD1' ' O ' ' A' ' 22' ' ' SER . 0.4 OUTLIER -76.55 -18.13 58.85 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.551 1.157 . . . . 0.0 109.276 -179.952 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 54' ' ' SER . . . . . 0.469 ' O ' ' CG2' ' A' ' 57' ' ' VAL . 0.1 OUTLIER -95.04 -34.2 12.42 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.55 1.156 . . . . 0.0 109.992 -179.975 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -71.05 -36.74 72.43 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.541 1.151 . . . . 0.0 109.322 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . 0.441 ' HG3' ' N ' ' A' ' 57' ' ' VAL . 4.7 pt-20 -57.22 -31.92 65.99 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.487 1.117 . . . . 0.0 110.304 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 57' ' ' VAL . . . . . 0.469 ' CG2' ' O ' ' A' ' 54' ' ' SER . 13.5 m -86.82 -25.71 6.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.476 1.11 . . . . 0.0 109.308 -179.977 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 102.9 41.92 2.2 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.534 1.146 . . . . 0.0 110.979 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 59' ' ' LEU . . . . . 0.465 ' HG ' ' CG2' ' A' ' 57' ' ' VAL . 25.3 mt -93.12 140.51 29.43 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.515 0.773 . . . . 0.0 109.324 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 13.4 mt-10 -135.38 173.62 11.52 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.496 1.123 . . . . 0.0 110.313 179.979 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 47.9 mt -64.28 126.34 22.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.446 1.091 . . . . 0.0 109.244 -179.964 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 62' ' ' GLY . . . . . 0.4 ' O ' ' N ' ' A' ' 64' ' ' GLN . . . 122.17 -35.48 3.49 Favored Glycine 0 CA--C 1.529 0.959 0 O-C-N 124.528 1.142 . . . . 0.0 111.048 179.995 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 75.9 m-20 -49.85 96.33 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.468 0.746 . . . . 0.0 109.282 179.995 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 64' ' ' GLN . . . . . 0.584 ' HB2' ' CD2' ' A' ' 44' ' ' PHE . 40.7 tt0 -83.11 117.34 22.8 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.529 1.143 . . . . 0.0 110.321 179.954 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 65' ' ' ILE . . . . . 0.57 HG21 ' CD2' ' A' ' 73' ' ' PHE . 42.3 mt -71.05 106.65 1.94 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.5 1.125 . . . . 0.0 109.288 -179.974 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 14.9 m -95.22 -23.34 5.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.482 1.114 . . . . 0.0 109.309 179.95 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . 0.425 ' HG2' ' N ' ' A' ' 68' ' ' VAL . 36.3 tt0 -151.83 156.37 40.04 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.521 1.138 . . . . 0.0 110.305 179.948 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 68' ' ' VAL . . . . . 0.575 ' HB ' ' CE1' ' A' ' 73' ' ' PHE . 75.2 t -151.98 120.03 0.76 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.474 1.109 . . . . 0.0 109.328 -179.981 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 1.2 t-20 51.78 23.82 2.2 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.453 1.095 . . . . 0.0 109.286 -179.964 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 88.96 21.34 42.82 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.552 1.158 . . . . 0.0 110.952 179.949 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 71' ' ' VAL . . . . . 0.499 ' CG2' ' O ' ' A' ' 68' ' ' VAL . 63.9 t -94.68 146.13 7.16 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.443 0.731 . . . . 0.0 109.285 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 8.3 t0 -82.48 86.27 6.79 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.511 1.132 . . . . 0.0 109.282 -179.989 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 73' ' ' PHE . . . . . 0.605 ' CD1' ' CD1' ' A' ' 76' ' ' LEU . 3.4 m-85 -88.65 29.67 0.98 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.461 1.101 . . . . 0.0 110.978 -179.986 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 3.1 t -71.87 -68.81 0.43 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.521 1.138 . . . . 0.0 109.979 -179.984 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 3.5 m-80 -109.95 46.58 1.01 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.522 1.139 . . . . 0.0 109.298 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 76' ' ' LEU . . . . . 0.605 ' CD1' ' CD1' ' A' ' 73' ' ' PHE . 7.2 mt -79.9 -167.51 1.29 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.462 1.101 . . . . 0.0 109.282 179.995 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 26.3 t0 -135.82 171.4 14.52 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.528 1.142 . . . . 0.0 109.26 -179.982 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 78' ' ' HIS . . . . . . . . . . . . . 64.9 t-80 -71.24 -6.62 41.04 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.487 1.117 . . . . 0.0 109.628 179.985 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 10.1 mmtt -108.0 -36.92 6.21 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.525 1.141 . . . . 0.0 109.283 -179.984 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 80' ' ' GLU . . . . . 0.501 ' O ' ' CG2' ' A' ' 84' ' ' VAL . 2.2 mt-10 -78.84 -38.17 38.65 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.485 1.116 . . . . 0.0 110.306 179.973 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 81' ' ' ALA . . . . . 0.435 ' HB3' ' CE2' ' A' ' 73' ' ' PHE . . . -70.92 -32.47 69.4 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.466 1.103 . . . . 0.0 109.323 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 82' ' ' VAL . . . . . 0.5 ' O ' ' N ' ' A' ' 85' ' ' LEU . 15.4 t -77.29 -56.62 7.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.465 1.103 . . . . 0.0 109.293 179.991 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 13.6 t30 -45.54 -45.07 13.22 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.504 1.127 . . . . 0.0 109.323 -179.992 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 84' ' ' VAL . . . . . 0.501 ' CG2' ' O ' ' A' ' 80' ' ' GLU . 75.3 t -59.33 -34.11 53.12 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.513 1.133 . . . . 0.0 109.298 179.966 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 85' ' ' LEU . . . . . 0.5 ' N ' ' O ' ' A' ' 82' ' ' VAL . 49.8 mt -72.8 -37.28 67.59 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.49 1.119 . . . . 0.0 109.294 179.983 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 86' ' ' LYS . . . . . 0.418 ' HG3' ' O ' ' A' ' 82' ' ' VAL . 3.9 mttm -70.2 -25.96 63.66 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.481 1.113 . . . . 0.0 109.277 -179.938 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 87' ' ' SER . . . . . 0.416 ' C ' ' O ' ' A' ' 86' ' ' LYS . 35.6 t -37.02 -69.6 0.11 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.487 1.117 . . . . 0.0 110.005 -179.991 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -132.1 175.35 9.31 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.575 1.172 . . . . 0.0 110.023 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 2.8 mmt85 -81.56 -58.04 3.2 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.467 1.104 . . . . 0.0 110.285 -179.992 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -79.23 112.31 16.32 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.519 1.137 . . . . 0.0 110.006 179.991 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -133.5 153.01 51.98 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.529 1.143 . . . . 0.0 109.318 179.967 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 6.7 m -107.79 100.53 9.9 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.513 1.133 . . . . 0.0 110.405 -179.991 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 93' ' ' ILE . . . . . 0.44 HD11 ' CG1' ' A' ' 21' ' ' ILE . 16.9 mt -89.57 134.77 27.82 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.494 1.121 . . . . 0.0 109.264 -179.981 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -113.68 100.33 8.4 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.511 1.132 . . . . 0.0 110.014 179.976 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 95' ' ' ILE . . . . . 0.449 HD13 ' CE ' ' A' ' 17' ' ' LYS . 1.1 pt -100.38 169.49 1.66 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.542 1.151 . . . . 0.0 109.276 -179.965 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 96' ' ' VAL . . . . . 0.499 ' O ' ' CG1' ' A' ' 96' ' ' VAL . 72.2 t -112.84 34.49 0.92 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.509 1.131 . . . . 0.0 109.307 179.991 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 97' ' ' ALA . . . . . 0.4 ' O ' ' O ' ' A' ' 96' ' ' VAL . . . 45.53 93.83 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.543 1.152 . . . . 0.0 109.256 179.984 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . 46.47 58.56 4.49 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.488 1.118 . . . . 0.0 109.333 -179.971 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 99' ' ' ALA . . . . . 0.449 ' CB ' ' HB ' ' A' ' 96' ' ' VAL . . . -62.27 -67.3 0.43 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.526 1.141 . . . . 0.0 109.323 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . -107.17 60.23 0.35 Allowed Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.527 1.142 . . . . 0.0 111.021 179.945 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 6.3 ptt-85 -76.76 -17.08 59.27 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.503 0.767 . . . . 0.0 110.301 179.986 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 7.5 pt-20 -71.23 -8.13 51.52 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.517 1.136 . . . . 0.0 110.287 -179.986 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 43.8 mt -73.27 -20.52 60.81 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.466 1.104 . . . . 0.0 109.275 179.988 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 104' ' ' PHE . . . . . 0.537 ' CE2' ' HA ' ' A' ' 46' ' ' SER . 4.8 m-85 . . . . . 0 C--N 1.325 -0.496 0 O-C-N 124.499 1.124 . . . . 0.0 110.997 179.984 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 25.6 mt-10 . . . . . 0 N--CA 1.453 -0.322 0 N-CA-C 110.345 -0.243 . . . . 0.0 110.345 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . 0.495 ' CE ' ' CD1' ' A' ' 95' ' ' ILE . 0.4 OUTLIER -110.81 142.95 42.13 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.519 1.137 . . . . 0.0 109.318 -179.99 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -95.11 133.72 38.62 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.465 1.103 . . . . 0.0 109.287 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 19' ' ' VAL . . . . . 0.498 ' CG2' ' O ' ' A' ' 93' ' ' ILE . 26.8 m -132.47 159.35 43.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.459 1.099 . . . . 0.0 109.244 -179.966 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 20' ' ' PHE . . . . . 0.501 ' CZ ' ' OG1' ' A' ' 92' ' ' THR . 0.1 OUTLIER -135.69 113.27 10.83 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.537 1.148 . . . . 0.0 110.993 -179.984 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 21' ' ' ILE . . . . . 0.472 ' O ' ' CG2' ' A' ' 21' ' ' ILE . 1.1 mp -95.33 102.53 13.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.464 1.102 . . . . 0.0 109.318 179.982 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 6.2 t -88.26 113.09 23.52 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.468 1.105 . . . . 0.0 109.994 -179.976 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . 0.489 ' HB2' ' CA ' ' A' ' 89' ' ' ARG . 0.2 OUTLIER . . . . . 0 C--N 1.325 -0.493 0 O-C-N 124.542 1.151 . . . . 0.0 109.325 179.976 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.071 0 N-CA-C 111.004 -0.838 . . . . 0.0 111.004 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 31' ' ' CYS . . . . . 0.41 ' CB ' HG23 ' A' ' 48' ' ' VAL . 14.9 p -106.46 142.92 35.34 Favored 'General case' 0 C--N 1.325 -0.49 0 N-CA-C 108.291 -1.003 . . . . 0.0 108.291 179.98 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -91.1 140.78 29.5 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.542 1.151 . . . . 0.0 110.004 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 7.5 pt -116.4 146.25 21.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.507 1.13 . . . . 0.0 109.3 -179.965 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -133.84 169.89 16.4 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.478 1.111 . . . . 0.0 109.967 180.0 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 50.7 p -103.46 131.6 50.43 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.483 1.115 . . . . 0.0 109.967 -179.956 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -75.55 171.29 54.31 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.449 1.093 . . . . 0.0 111.004 179.964 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 -176.24 2.78 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.543 1.812 . . . . 0.0 110.988 -179.969 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 5.0 tt -69.73 -28.25 36.5 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.468 1.105 . . . . 0.0 109.313 -179.976 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 6.0 pt20 -79.04 -30.55 44.17 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.499 1.125 . . . . 0.0 110.295 179.984 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 40' ' ' LYS . . . . . 0.457 ' N ' ' HD3' ' A' ' 41' ' ' PRO . 21.9 tttp -137.66 62.34 34.81 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.516 1.135 . . . . 0.0 109.307 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 41' ' ' PRO . . . . . 0.457 ' HD3' ' N ' ' A' ' 40' ' ' LYS . 18.2 Cg_endo -75.04 144.38 30.05 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.488 1.783 . . . . 0.0 110.982 -179.947 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 155.91 -160.57 30.12 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.552 1.158 . . . . 0.0 111.032 -179.988 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 43' ' ' ILE . . . . . 0.41 HG21 ' CD1' ' A' ' 65' ' ' ILE . 8.5 mm -121.19 105.94 17.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.536 0.786 . . . . 0.0 109.298 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 44' ' ' PHE . . . . . 0.569 ' CD2' ' HB2' ' A' ' 64' ' ' GLN . 3.3 m-85 -117.12 138.43 51.65 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.522 1.139 . . . . 0.0 110.998 -179.981 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 45' ' ' ILE . . . . . 0.431 ' O ' ' CZ ' ' A' ' 104' ' ' PHE . 16.5 mt -68.02 149.21 11.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.528 1.143 . . . . 0.0 109.288 179.977 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 1.4 p -113.91 -37.83 4.39 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.487 1.117 . . . . 0.0 110.003 179.986 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 53.7 t-80 -149.01 163.68 36.81 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.56 1.162 . . . . 0.0 109.603 179.986 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 48' ' ' VAL . . . . . 0.41 HG23 ' CB ' ' A' ' 31' ' ' CYS . 17.2 t . . . . . 0 C--N 1.325 -0.475 0 O-C-N 124.512 1.133 . . . . 0.0 109.31 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 92.2 p . . . . . 0 N--CA 1.453 -0.298 0 N-CA-C 109.999 -0.371 . . . . 0.0 109.999 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . 0.466 ' CD2' HG22 ' A' ' 21' ' ' ILE . 2.8 tp -79.42 -14.45 58.93 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.506 1.129 . . . . 0.0 109.333 179.979 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 54' ' ' SER . . . . . 0.488 ' O ' ' CG2' ' A' ' 57' ' ' VAL . 0.0 OUTLIER -94.26 -43.78 8.27 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.508 1.13 . . . . 0.0 110.023 179.986 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 55' ' ' ALA . . . . . 0.407 ' O ' ' N ' ' A' ' 58' ' ' GLY . . . -65.11 -46.48 80.83 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.556 1.16 . . . . 0.0 109.291 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . 0.468 ' HG3' ' N ' ' A' ' 57' ' ' VAL . 11.0 pt-20 -45.95 -36.06 5.18 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.478 1.111 . . . . 0.0 110.272 -179.984 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 57' ' ' VAL . . . . . 0.488 ' CG2' ' O ' ' A' ' 54' ' ' SER . 33.2 m -90.78 -26.23 5.23 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.514 1.134 . . . . 0.0 109.32 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 58' ' ' GLY . . . . . 0.407 ' N ' ' O ' ' A' ' 55' ' ' ALA . . . 103.78 36.6 3.19 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.457 1.098 . . . . 0.0 111.045 -179.985 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 59' ' ' LEU . . . . . 0.47 ' HG ' ' CG2' ' A' ' 57' ' ' VAL . 19.3 mt -84.46 141.42 30.81 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.544 0.791 . . . . 0.0 109.284 -179.963 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 32.8 mt-10 -138.91 170.17 16.46 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.549 1.156 . . . . 0.0 110.277 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 68.5 mt -60.23 131.64 25.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.489 1.118 . . . . 0.0 109.282 179.969 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 111.87 -25.33 13.2 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.515 1.134 . . . . 0.0 110.967 179.962 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 63' ' ' ASP . . . . . 0.44 ' CG ' ' CD1' ' A' ' 95' ' ' ILE . 61.3 m-20 -62.24 97.12 0.08 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.516 0.774 . . . . 0.0 109.266 -179.963 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 64' ' ' GLN . . . . . 0.569 ' HB2' ' CD2' ' A' ' 44' ' ' PHE . 38.0 tt0 -83.2 118.97 23.98 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.51 1.132 . . . . 0.0 110.337 179.957 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 65' ' ' ILE . . . . . 0.598 ' CG2' ' CG2' ' A' ' 68' ' ' VAL . 22.8 mt -68.19 107.09 1.15 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.521 1.138 . . . . 0.0 109.276 -179.973 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 17.6 m -98.11 -21.41 5.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.544 1.153 . . . . 0.0 109.308 179.952 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . 0.428 ' HG2' ' N ' ' A' ' 68' ' ' VAL . 36.5 tt0 -153.56 153.1 31.75 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.506 1.129 . . . . 0.0 110.269 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 68' ' ' VAL . . . . . 0.598 ' CG2' ' CG2' ' A' ' 65' ' ' ILE . 97.1 t -151.2 111.82 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.468 1.105 . . . . 0.0 109.325 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER 59.75 17.56 6.48 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.478 1.111 . . . . 0.0 109.342 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 101.05 -0.5 54.84 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.561 1.163 . . . . 0.0 111.029 -179.981 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 60.1 t -75.34 154.5 6.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.519 0.776 . . . . 0.0 109.311 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 6.5 t0 -91.18 90.96 8.02 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.526 1.141 . . . . 0.0 109.304 -179.971 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 73' ' ' PHE . . . . . 0.623 ' CD1' ' CD1' ' A' ' 76' ' ' LEU . 4.2 m-85 -94.28 21.66 6.77 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.443 1.089 . . . . 0.0 111.002 -179.979 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -69.94 -38.52 76.2 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.51 1.131 . . . . 0.0 109.982 179.995 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 28.7 m-20 -139.61 52.53 1.72 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.502 1.126 . . . . 0.0 109.295 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 76' ' ' LEU . . . . . 0.623 ' CD1' ' CD1' ' A' ' 73' ' ' PHE . 6.1 mt -87.48 -166.12 1.49 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.563 1.165 . . . . 0.0 109.297 -179.966 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 25.1 t70 -132.66 169.52 16.53 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.511 1.132 . . . . 0.0 109.326 179.985 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 78' ' ' HIS . . . . . . . . . . . . . 54.2 t-80 -70.6 -7.13 41.87 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.496 1.122 . . . . 0.0 109.581 -179.959 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 1.3 mtpp -108.71 -36.32 6.19 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.493 1.121 . . . . 0.0 109.3 -179.962 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 80' ' ' GLU . . . . . 0.472 ' O ' ' CG2' ' A' ' 84' ' ' VAL . 4.3 mm-40 -79.53 -35.94 39.17 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.484 1.115 . . . . 0.0 110.279 -179.987 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -73.62 -34.26 64.95 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.518 1.136 . . . . 0.0 109.306 -179.997 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 82' ' ' VAL . . . . . 0.472 ' O ' ' N ' ' A' ' 85' ' ' LEU . 20.5 t -74.87 -57.75 5.91 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.531 1.144 . . . . 0.0 109.267 -179.958 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 11.1 t30 -48.07 -44.73 31.73 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.501 1.126 . . . . 0.0 109.304 -180.0 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 84' ' ' VAL . . . . . 0.472 ' CG2' ' O ' ' A' ' 80' ' ' GLU . 46.9 t -63.27 -27.45 43.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.513 1.133 . . . . 0.0 109.279 -179.98 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 85' ' ' LEU . . . . . 0.472 ' N ' ' O ' ' A' ' 82' ' ' VAL . 36.3 mt -81.95 -34.57 29.73 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.473 1.108 . . . . 0.0 109.3 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 86' ' ' LYS . . . . . 0.463 ' O ' ' C ' ' A' ' 87' ' ' SER . 0.0 OUTLIER -78.64 -34.03 46.81 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.457 1.098 . . . . 0.0 109.318 179.997 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 87' ' ' SER . . . . . 0.463 ' C ' ' O ' ' A' ' 86' ' ' LYS . 34.1 t -34.77 -68.66 0.11 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.519 1.137 . . . . 0.0 109.972 -179.971 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -115.6 165.4 13.06 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.48 1.112 . . . . 0.0 109.999 -179.987 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 89' ' ' ARG . . . . . 0.489 ' CA ' ' HB2' ' A' ' 23' ' ' LEU . 0.6 OUTLIER -79.27 -64.44 1.19 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.416 1.073 . . . . 0.0 110.351 179.954 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -80.34 112.58 17.81 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.523 1.139 . . . . 0.0 109.976 179.984 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 1.4 mt -129.93 144.33 51.27 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.492 1.12 . . . . 0.0 109.267 179.953 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 92' ' ' THR . . . . . 0.501 ' OG1' ' CZ ' ' A' ' 20' ' ' PHE . 33.6 m -100.25 101.66 12.73 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.495 1.122 . . . . 0.0 110.426 179.973 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 93' ' ' ILE . . . . . 0.498 ' O ' ' CG2' ' A' ' 19' ' ' VAL . 25.8 mt -89.3 141.26 14.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.457 1.098 . . . . 0.0 109.299 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -122.96 109.86 14.65 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.482 1.114 . . . . 0.0 110.011 -179.971 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 95' ' ' ILE . . . . . 0.495 ' CD1' ' CE ' ' A' ' 17' ' ' LYS . 1.1 pt -108.74 170.42 2.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.466 1.104 . . . . 0.0 109.339 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 96' ' ' VAL . . . . . 0.478 ' O ' ' CG1' ' A' ' 96' ' ' VAL . 84.2 t -107.16 31.17 0.89 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.509 1.131 . . . . 0.0 109.243 -179.982 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 97' ' ' ALA . . . . . 0.406 ' O ' ' O ' ' A' ' 96' ' ' VAL . . . 44.19 92.99 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.505 1.128 . . . . 0.0 109.277 179.95 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 98' ' ' ALA . . . . . 0.447 ' CB ' ' HG3' ' A' ' 101' ' ' ARG . . . 55.96 52.9 9.88 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.57 1.169 . . . . 0.0 109.285 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 99' ' ' ALA . . . . . 0.445 ' CB ' ' HB ' ' A' ' 96' ' ' VAL . . . -58.25 -71.59 0.11 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.508 1.13 . . . . 0.0 109.305 179.976 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . -103.5 57.53 0.55 Allowed Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.532 1.145 . . . . 0.0 111.005 -179.997 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 101' ' ' ARG . . . . . 0.447 ' HG3' ' CB ' ' A' ' 98' ' ' ALA . 0.0 OUTLIER -63.78 -29.15 70.39 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.481 0.754 . . . . 0.0 110.266 -179.976 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 1.3 pt-20 -62.27 -20.47 64.31 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.503 1.127 . . . . 0.0 110.325 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 103' ' ' LEU . . . . . 0.408 HD13 ' CD2' ' A' ' 44' ' ' PHE . 32.4 mt -66.7 -16.51 64.28 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.497 1.123 . . . . 0.0 109.317 179.976 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 104' ' ' PHE . . . . . 0.431 ' CZ ' ' O ' ' A' ' 45' ' ' ILE . 14.9 m-85 . . . . . 0 C--N 1.325 -0.493 0 O-C-N 124.505 1.128 . . . . 0.0 110.983 179.989 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 14.3 mt-10 . . . . . 0 N--CA 1.453 -0.304 0 N-CA-C 110.265 -0.272 . . . . 0.0 110.265 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . 0.466 ' CE ' HD13 ' A' ' 95' ' ' ILE . 0.8 OUTLIER -109.17 141.3 41.6 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.495 1.122 . . . . 0.0 109.323 179.941 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 1.4 ttmm -97.24 112.25 24.14 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.533 1.146 . . . . 0.0 109.267 -179.986 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -115.22 116.68 53.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.475 1.109 . . . . 0.0 109.293 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 20' ' ' PHE . . . . . 0.594 ' CD1' ' O ' ' A' ' 91' ' ' LEU . 0.3 OUTLIER -94.56 117.65 30.45 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.503 1.127 . . . . 0.0 110.981 -179.998 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 21' ' ' ILE . . . . . 0.469 ' CG1' HD13 ' A' ' 93' ' ' ILE . 27.9 mm -95.06 102.06 13.17 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.468 1.105 . . . . 0.0 109.358 179.949 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 68.5 m -89.79 112.54 23.88 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.486 1.116 . . . . 0.0 109.948 -179.947 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . 0.469 ' HB2' ' CA ' ' A' ' 89' ' ' ARG . 0.1 OUTLIER . . . . . 0 C--N 1.325 -0.496 0 O-C-N 124.49 1.119 . . . . 0.0 109.288 179.976 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.995 0 N-CA-C 111.024 -0.831 . . . . 0.0 111.024 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 27.7 p -136.58 143.79 43.8 Favored 'General case' 0 C--N 1.325 -0.483 0 N-CA-C 108.295 -1.002 . . . . 0.0 108.295 179.994 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -89.41 138.74 31.18 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.538 1.149 . . . . 0.0 110.025 179.994 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 14.3 pt -119.01 143.04 31.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.475 1.11 . . . . 0.0 109.341 -179.997 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -136.31 168.97 18.41 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.499 1.124 . . . . 0.0 110.036 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -100.49 152.12 20.76 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.572 1.17 . . . . 0.0 110.002 -179.966 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -94.16 175.54 35.02 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.512 1.133 . . . . 0.0 111.003 179.988 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 -172.0 1.13 Allowed 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.5 1.79 . . . . 0.0 111.021 179.978 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 0.7 OUTLIER -72.92 -30.13 31.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.457 1.098 . . . . 0.0 109.3 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 7.6 pt20 -77.6 -30.75 52.59 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.498 1.124 . . . . 0.0 110.334 179.965 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 40' ' ' LYS . . . . . 0.466 ' N ' ' HD3' ' A' ' 41' ' ' PRO . 2.5 tttt -136.6 61.86 39.24 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.543 1.152 . . . . 0.0 109.266 180.0 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 41' ' ' PRO . . . . . 0.466 ' HD3' ' N ' ' A' ' 40' ' ' LYS . 18.1 Cg_endo -75.04 145.98 31.96 Favored 'Trans proline' 0 C--N 1.361 1.191 0 O-C-N 124.517 1.798 . . . . 0.0 111.008 179.986 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 152.39 -157.93 27.55 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.5 1.125 . . . . 0.0 110.996 -179.982 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 43' ' ' ILE . . . . . 0.448 HG22 ' CD1' ' A' ' 65' ' ' ILE . 7.9 mm -121.88 117.8 53.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.497 0.763 . . . . 0.0 109.301 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 44' ' ' PHE . . . . . 0.566 ' CD2' ' HB2' ' A' ' 64' ' ' GLN . 2.2 m-85 -127.89 140.86 51.76 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.479 1.112 . . . . 0.0 110.989 -179.95 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 45' ' ' ILE . . . . . 0.548 ' O ' ' CZ ' ' A' ' 104' ' ' PHE . 8.9 mt -66.93 152.55 9.53 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.472 1.107 . . . . 0.0 109.302 179.969 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -117.59 -38.64 3.26 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.442 1.089 . . . . 0.0 110.002 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 44.3 t-80 -151.66 159.82 43.87 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.427 1.079 . . . . 0.0 109.563 -179.971 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 65.2 t . . . . . 0 C--N 1.325 -0.48 0 O-C-N 124.522 1.139 . . . . 0.0 109.273 -179.974 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 28.5 p . . . . . 0 N--CA 1.453 -0.294 0 N-CA-C 109.973 -0.38 . . . . 0.0 109.973 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . 0.444 ' O ' ' CD1' ' A' ' 21' ' ' ILE . 19.0 tp -79.43 -13.71 59.41 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.503 1.127 . . . . 0.0 109.319 179.976 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 54' ' ' SER . . . . . 0.487 ' O ' ' CG2' ' A' ' 57' ' ' VAL . 0.0 OUTLIER -95.75 -42.13 8.51 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.574 1.172 . . . . 0.0 110.027 179.99 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 55' ' ' ALA . . . . . 0.434 ' O ' ' N ' ' A' ' 58' ' ' GLY . . . -65.22 -43.06 92.7 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.495 1.122 . . . . 0.0 109.33 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . 0.456 ' HG3' ' N ' ' A' ' 57' ' ' VAL . 7.0 pt-20 -46.79 -35.33 6.12 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.474 1.109 . . . . 0.0 110.327 179.967 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 57' ' ' VAL . . . . . 0.487 ' CG2' ' O ' ' A' ' 54' ' ' SER . 7.2 m -88.38 -26.1 5.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.519 1.137 . . . . 0.0 109.307 179.976 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 58' ' ' GLY . . . . . 0.434 ' N ' ' O ' ' A' ' 55' ' ' ALA . . . 106.84 38.6 2.16 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.457 1.098 . . . . 0.0 110.969 179.989 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 59' ' ' LEU . . . . . 0.48 ' HG ' ' CG2' ' A' ' 57' ' ' VAL . 17.8 mt -87.85 137.34 32.42 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.493 0.761 . . . . 0.0 109.313 179.958 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -136.9 173.2 11.95 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.518 1.136 . . . . 0.0 110.292 179.969 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 21.3 mt -62.44 134.92 27.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.516 1.135 . . . . 0.0 109.333 179.988 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 109.74 -34.89 5.2 Favored Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.498 1.124 . . . . 0.0 111.042 -179.937 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 52.7 m-20 -50.8 96.71 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.482 0.754 . . . . 0.0 109.286 179.992 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 64' ' ' GLN . . . . . 0.566 ' HB2' ' CD2' ' A' ' 44' ' ' PHE . 42.3 tt0 -83.02 130.23 35.12 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.496 1.122 . . . . 0.0 110.311 179.978 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 65' ' ' ILE . . . . . 0.604 ' CG2' ' CG2' ' A' ' 68' ' ' VAL . 5.5 mt -82.28 108.16 14.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.493 1.121 . . . . 0.0 109.293 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 66' ' ' VAL . . . . . 0.409 ' CG2' ' O ' ' A' ' 94' ' ' SER . 14.4 m -97.16 -21.91 5.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.489 1.118 . . . . 0.0 109.283 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . 0.432 ' HG2' ' N ' ' A' ' 68' ' ' VAL . 42.0 tt0 -153.96 152.49 30.62 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.479 1.112 . . . . 0.0 110.3 179.998 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 68' ' ' VAL . . . . . 0.609 ' HB ' ' CE1' ' A' ' 73' ' ' PHE . 59.8 t -148.89 120.92 1.42 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.493 1.121 . . . . 0.0 109.327 179.979 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 1.1 t-20 49.26 27.23 1.79 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.448 1.093 . . . . 0.0 109.294 -179.988 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 84.94 27.09 35.3 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.484 1.115 . . . . 0.0 111.039 179.998 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 71' ' ' VAL . . . . . 0.512 ' CG2' ' O ' ' A' ' 68' ' ' VAL . 60.5 t -102.69 154.22 5.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.492 0.76 . . . . 0.0 109.317 -179.982 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 2.6 t0 -85.95 89.52 7.81 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.496 1.122 . . . . 0.0 109.292 -179.943 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 73' ' ' PHE . . . . . 0.657 ' CD1' ' CD1' ' A' ' 76' ' ' LEU . 4.3 m-85 -97.62 23.77 7.43 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.489 1.118 . . . . 0.0 110.997 -179.95 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -76.82 -27.17 55.07 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.555 1.159 . . . . 0.0 110.037 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 58.1 m-80 -147.54 49.58 1.08 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.487 1.117 . . . . 0.0 109.32 -179.965 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 76' ' ' LEU . . . . . 0.657 ' CD1' ' CD1' ' A' ' 73' ' ' PHE . 6.3 mt -88.17 -166.92 1.72 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.488 1.117 . . . . 0.0 109.298 -179.975 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 34.5 t70 -132.93 170.24 15.62 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.495 1.122 . . . . 0.0 109.303 179.985 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 78' ' ' HIS . . . . . . . . . . . . . 61.1 t-80 -70.76 -6.91 41.09 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.458 1.099 . . . . 0.0 109.627 179.973 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -108.52 -39.18 5.48 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.522 1.139 . . . . 0.0 109.294 -179.968 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 1.8 mt-10 -75.52 -36.83 60.45 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.463 1.102 . . . . 0.0 110.336 179.994 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -72.03 -41.23 67.74 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.546 1.154 . . . . 0.0 109.281 179.995 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 82' ' ' VAL . . . . . 0.461 ' O ' ' N ' ' A' ' 86' ' ' LYS . 41.9 t -69.44 -40.08 79.44 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.521 1.138 . . . . 0.0 109.287 -179.966 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 83' ' ' ASN . . . . . 0.48 ' HA ' ' CD ' ' A' ' 86' ' ' LYS . 9.5 t30 -60.15 -49.74 76.44 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.535 1.147 . . . . 0.0 109.306 -179.985 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 84' ' ' VAL . . . . . 0.409 HG13 ' CG2' ' A' ' 71' ' ' VAL . 64.3 t -67.78 -21.08 26.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.48 1.113 . . . . 0.0 109.319 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 32.9 mt -87.16 -26.57 23.52 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.493 1.121 . . . . 0.0 109.296 -179.994 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 86' ' ' LYS . . . . . 0.48 ' CD ' ' HA ' ' A' ' 83' ' ' ASN . 0.0 OUTLIER -102.38 -1.01 31.72 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.521 1.138 . . . . 0.0 109.343 179.964 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 87' ' ' SER . . . . . 0.452 ' N ' ' O ' ' A' ' 83' ' ' ASN . 19.5 m -84.0 7.42 18.52 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.474 1.109 . . . . 0.0 109.977 179.988 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 88' ' ' SER . . . . . 0.41 ' OG ' HD21 ' A' ' 91' ' ' LEU . 0.0 OUTLIER -177.44 163.48 1.99 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.498 1.124 . . . . 0.0 110.002 -179.945 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 89' ' ' ARG . . . . . 0.469 ' CA ' ' HB2' ' A' ' 23' ' ' LEU . 18.8 mmt85 -89.05 -65.91 0.97 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.493 1.121 . . . . 0.0 110.316 179.983 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -80.75 108.14 14.16 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.518 1.136 . . . . 0.0 109.95 -179.982 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 91' ' ' LEU . . . . . 0.594 ' O ' ' CD1' ' A' ' 20' ' ' PHE . 0.9 OUTLIER -122.15 160.12 25.78 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.475 1.109 . . . . 0.0 109.313 179.99 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 92' ' ' THR . . . . . 0.592 ' OG1' ' CE2' ' A' ' 20' ' ' PHE . 31.1 m -115.64 98.54 6.76 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.507 1.129 . . . . 0.0 110.415 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 93' ' ' ILE . . . . . 0.469 HD13 ' CG1' ' A' ' 21' ' ' ILE . 15.6 mt -87.89 133.94 29.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.474 1.109 . . . . 0.0 109.33 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 94' ' ' SER . . . . . 0.409 ' O ' ' CG2' ' A' ' 66' ' ' VAL . 0.3 OUTLIER -118.71 96.57 5.33 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.498 1.124 . . . . 0.0 110.026 179.991 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 95' ' ' ILE . . . . . 0.466 HD13 ' CE ' ' A' ' 17' ' ' LYS . 1.7 pt -99.7 169.38 1.63 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.493 1.12 . . . . 0.0 109.305 179.983 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 96' ' ' VAL . . . . . 0.514 ' O ' ' CG1' ' A' ' 96' ' ' VAL . 74.7 t -107.57 31.32 0.91 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.542 1.151 . . . . 0.0 109.314 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 97' ' ' ALA . . . . . 0.408 ' O ' ' O ' ' A' ' 96' ' ' VAL . . . 46.73 95.03 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.506 1.129 . . . . 0.0 109.316 179.994 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . 51.49 55.1 9.91 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.463 1.102 . . . . 0.0 109.295 179.989 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -60.76 -70.55 0.17 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.472 1.108 . . . . 0.0 109.271 -179.979 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . -101.43 58.45 0.65 Allowed Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.483 1.114 . . . . 0.0 110.988 -179.981 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -70.35 -25.22 63.18 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.481 0.754 . . . . 0.0 110.314 179.983 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 8.9 pt-20 -70.71 -36.42 73.22 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.532 1.145 . . . . 0.0 110.343 179.986 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 103' ' ' LEU . . . . . 0.553 HD12 ' CE2' ' A' ' 44' ' ' PHE . 47.3 mt -40.36 -46.3 2.33 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.529 1.143 . . . . 0.0 109.337 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 104' ' ' PHE . . . . . 0.548 ' CZ ' ' O ' ' A' ' 45' ' ' ILE . 27.6 m-85 . . . . . 0 C--N 1.325 -0.473 0 O-C-N 124.51 1.131 . . . . 0.0 110.998 179.981 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 N--CA 1.453 -0.284 0 N-CA-C 110.325 -0.25 . . . . 0.0 110.325 . . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . 0.47 ' CE ' HD13 ' A' ' 95' ' ' ILE . 0.1 OUTLIER -138.54 140.12 38.96 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.526 1.141 . . . . 0.0 109.325 -179.988 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -96.37 117.52 31.01 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.457 1.098 . . . . 0.0 109.285 179.995 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -118.87 116.89 52.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.54 1.15 . . . . 0.0 109.284 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -94.93 108.44 20.49 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.521 1.138 . . . . 0.0 111.023 179.974 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 21' ' ' ILE . . . . . 0.401 ' O ' ' O ' ' A' ' 89' ' ' ARG . 24.1 mm -95.27 112.18 27.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.516 1.135 . . . . 0.0 109.262 -179.967 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 8.3 p -111.55 122.24 47.3 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.519 1.137 . . . . 0.0 109.972 179.995 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 3.8 mp . . . . . 0 C--N 1.326 -0.453 0 O-C-N 124.525 1.141 . . . . 0.0 109.258 -180.0 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.006 0 N-CA-C 111.013 -0.835 . . . . 0.0 111.013 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 13.0 p -117.51 139.52 50.82 Favored 'General case' 0 C--N 1.324 -0.506 0 N-CA-C 108.298 -1.001 . . . . 0.0 108.298 -179.977 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -94.61 139.66 30.9 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.546 1.154 . . . . 0.0 110.043 180.0 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 33' ' ' ILE . . . . . 0.439 ' CD1' HG23 ' A' ' 82' ' ' VAL . 6.3 pt -115.65 147.92 18.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.477 1.111 . . . . 0.0 109.298 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -136.52 170.07 16.65 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.471 1.107 . . . . 0.0 110.031 179.978 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 79.2 p -97.59 135.39 39.48 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.45 1.094 . . . . 0.0 109.986 -179.997 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -81.57 168.43 49.77 Favored Glycine 0 CA--C 1.531 1.049 0 O-C-N 124.494 1.121 . . . . 0.0 110.972 -179.966 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 -169.52 0.64 Allowed 'Trans proline' 0 C--N 1.359 1.128 0 O-C-N 124.565 1.824 . . . . 0.0 110.989 -179.985 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 5.4 tt -75.62 -29.99 21.27 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.504 1.128 . . . . 0.0 109.275 -179.992 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 1.9 pt20 -78.8 -27.71 44.46 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.448 1.092 . . . . 0.0 110.317 179.995 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 40' ' ' LYS . . . . . 0.461 ' N ' ' HD3' ' A' ' 41' ' ' PRO . 0.0 OUTLIER -137.73 62.16 33.49 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.521 1.138 . . . . 0.0 109.322 -179.983 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 41' ' ' PRO . . . . . 0.461 ' HD3' ' N ' ' A' ' 40' ' ' LYS . 18.3 Cg_endo -74.99 145.35 31.39 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.499 1.789 . . . . 0.0 111.026 179.992 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 145.18 -158.83 27.76 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.468 1.105 . . . . 0.0 111.004 -179.999 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 27.0 mm -117.61 117.9 56.63 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.542 0.789 . . . . 0.0 109.289 179.975 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 44' ' ' PHE . . . . . 0.574 ' CD2' ' HB2' ' A' ' 64' ' ' GLN . 2.9 m-85 -128.76 135.04 48.65 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.548 1.155 . . . . 0.0 110.996 -179.988 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 45' ' ' ILE . . . . . 0.428 HG22 ' N ' ' A' ' 46' ' ' SER . 13.8 mt -62.87 138.18 23.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.527 1.142 . . . . 0.0 109.265 -179.949 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 46' ' ' SER . . . . . 0.428 ' N ' HG22 ' A' ' 45' ' ' ILE . 51.1 p -104.77 -36.28 7.47 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.509 1.131 . . . . 0.0 110.005 -179.969 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 63.2 t-80 -150.67 163.17 39.19 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.539 1.149 . . . . 0.0 109.6 -179.988 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 77.4 t . . . . . 0 C--N 1.324 -0.508 0 O-C-N 124.479 1.112 . . . . 0.0 109.313 -179.989 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 9.4 p . . . . . 0 N--CA 1.453 -0.294 0 N-CA-C 109.982 -0.377 . . . . 0.0 109.982 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . 0.424 ' C ' ' HG2' ' A' ' 56' ' ' GLU . 12.4 tp -73.51 -19.59 60.88 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.552 1.157 . . . . 0.0 109.364 179.968 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 54' ' ' SER . . . . . 0.463 ' O ' ' CG2' ' A' ' 57' ' ' VAL . 0.0 OUTLIER -95.7 -36.3 11.25 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.513 1.133 . . . . 0.0 109.991 -179.999 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -68.07 -33.23 74.15 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.479 1.112 . . . . 0.0 109.286 179.997 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . 0.439 ' HG3' ' N ' ' A' ' 57' ' ' VAL . 4.6 pt-20 -61.73 -35.0 76.81 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.494 1.121 . . . . 0.0 110.309 -179.975 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 57' ' ' VAL . . . . . 0.464 ' CG2' ' HG ' ' A' ' 59' ' ' LEU . 17.8 m -83.37 -21.35 8.86 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.501 1.126 . . . . 0.0 109.312 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 100.58 36.79 3.93 Favored Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.536 1.148 . . . . 0.0 110.995 179.997 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 59' ' ' LEU . . . . . 0.476 ' CD2' HD12 ' A' ' 95' ' ' ILE . 19.7 mt -89.67 138.5 31.42 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.46 0.741 . . . . 0.0 109.265 -179.975 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 35.8 mt-10 -139.06 173.26 11.74 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.507 1.129 . . . . 0.0 110.338 179.977 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 44.2 mt -60.07 134.98 25.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.461 1.101 . . . . 0.0 109.303 -179.974 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 62' ' ' GLY . . . . . 0.464 ' HA3' ' CG ' ' A' ' 101' ' ' ARG . . . 112.6 -34.69 5.01 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.489 1.118 . . . . 0.0 111.029 -179.949 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 85.2 m-20 -56.32 97.29 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.529 0.782 . . . . 0.0 109.303 179.981 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 64' ' ' GLN . . . . . 0.574 ' HB2' ' CD2' ' A' ' 44' ' ' PHE . 42.8 tt0 -83.28 131.9 35.06 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.505 1.128 . . . . 0.0 110.276 -179.995 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 65' ' ' ILE . . . . . 0.59 ' CG2' ' CG2' ' A' ' 68' ' ' VAL . 35.5 mt -85.52 111.28 20.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.518 1.136 . . . . 0.0 109.297 179.998 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 15.4 m -99.61 -24.12 4.25 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.511 1.132 . . . . 0.0 109.312 179.976 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . 0.42 ' HG2' ' N ' ' A' ' 68' ' ' VAL . 29.0 tt0 -150.58 154.09 36.92 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.54 1.15 . . . . 0.0 110.294 179.985 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 68' ' ' VAL . . . . . 0.596 ' HB ' ' CE1' ' A' ' 73' ' ' PHE . 94.2 t -152.67 116.12 0.51 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.472 1.107 . . . . 0.0 109.321 -179.993 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER 55.26 19.64 3.06 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.461 1.101 . . . . 0.0 109.275 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 93.58 14.54 52.92 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.557 1.161 . . . . 0.0 110.983 179.929 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 71' ' ' VAL . . . . . 0.459 HG11 ' CD1' ' A' ' 73' ' ' PHE . 90.3 t -91.84 141.07 15.06 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.475 0.75 . . . . 0.0 109.265 -179.954 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 1.1 t70 -76.13 86.3 2.99 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.509 1.131 . . . . 0.0 109.325 179.982 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 73' ' ' PHE . . . . . 0.596 ' CE1' ' HB ' ' A' ' 68' ' ' VAL . 3.7 m-85 -90.53 19.53 5.24 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.538 1.149 . . . . 0.0 111.003 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -74.03 -56.76 4.54 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.526 1.141 . . . . 0.0 109.951 -179.952 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -114.13 45.99 1.41 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.464 1.103 . . . . 0.0 109.309 180.0 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 76' ' ' LEU . . . . . 0.586 ' CD1' ' CD1' ' A' ' 73' ' ' PHE . 4.5 mt -84.01 -165.49 1.15 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.529 1.143 . . . . 0.0 109.31 179.995 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 77' ' ' ASP . . . . . 0.403 ' OD2' ' N ' ' A' ' 79' ' ' LYS . 26.4 t70 -132.29 169.12 16.92 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.538 1.149 . . . . 0.0 109.255 -179.957 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 78' ' ' HIS . . . . . . . . . . . . . 51.4 t-80 -73.46 -7.43 51.73 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.536 1.148 . . . . 0.0 109.577 -179.963 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 79' ' ' LYS . . . . . 0.403 ' N ' ' OD2' ' A' ' 77' ' ' ASP . 9.6 mttm -109.38 -28.54 8.9 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.475 1.11 . . . . 0.0 109.308 179.978 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 3.2 mm-40 -86.0 -36.01 20.03 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.478 1.111 . . . . 0.0 110.254 -179.98 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -73.8 -20.16 60.55 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.499 1.124 . . . . 0.0 109.32 -179.972 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 82' ' ' VAL . . . . . 0.439 HG23 ' CD1' ' A' ' 33' ' ' ILE . 3.7 t -91.06 -39.1 11.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.488 1.118 . . . . 0.0 109.266 -179.976 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 83' ' ' ASN . . . . . 0.474 ' HA ' ' CD ' ' A' ' 86' ' ' LYS . 1.7 m-20 -61.18 -41.75 97.35 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.52 1.137 . . . . 0.0 109.337 179.965 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 72.4 t -73.86 -33.8 38.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.516 1.135 . . . . 0.0 109.29 -179.951 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 24.7 mt -74.26 -30.34 62.08 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.503 1.127 . . . . 0.0 109.308 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 86' ' ' LYS . . . . . 0.474 ' CD ' ' HA ' ' A' ' 83' ' ' ASN . 0.0 OUTLIER -97.92 -1.34 43.11 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.441 1.088 . . . . 0.0 109.257 -179.982 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 34.2 t -63.74 -62.29 1.75 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.537 1.148 . . . . 0.0 110.012 -179.992 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -120.79 178.34 4.74 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.518 1.136 . . . . 0.0 109.977 -179.974 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 89' ' ' ARG . . . . . 0.401 ' O ' ' O ' ' A' ' 21' ' ' ILE . 4.6 mmt180 -91.41 -58.17 2.53 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.487 1.117 . . . . 0.0 110.29 -179.972 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -81.48 109.75 16.24 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.549 1.156 . . . . 0.0 109.979 -179.971 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 1.1 mt -137.26 143.59 42.29 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.517 1.136 . . . . 0.0 109.3 179.987 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 4.2 m -101.93 102.74 13.33 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.482 1.114 . . . . 0.0 110.435 179.966 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 17.3 mt -89.2 135.14 26.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.514 1.134 . . . . 0.0 109.283 -179.981 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -117.0 106.13 13.07 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.542 1.152 . . . . 0.0 109.961 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 95' ' ' ILE . . . . . 0.476 HD12 ' CD2' ' A' ' 59' ' ' LEU . 2.2 pt -104.12 176.01 1.01 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.54 1.15 . . . . 0.0 109.308 179.966 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 96' ' ' VAL . . . . . 0.515 ' O ' ' CG1' ' A' ' 96' ' ' VAL . 78.1 t -115.48 33.82 1.25 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.459 1.1 . . . . 0.0 109.309 -179.989 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 97' ' ' ALA . . . . . 0.415 ' O ' ' O ' ' A' ' 96' ' ' VAL . . . 46.04 95.3 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.485 1.116 . . . . 0.0 109.344 179.988 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . 45.88 58.54 4.29 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.51 1.131 . . . . 0.0 109.296 -179.98 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -61.43 -67.08 0.44 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.544 1.153 . . . . 0.0 109.334 179.988 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . -104.96 58.28 0.48 Allowed Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.537 1.148 . . . . 0.0 111.007 179.973 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 101' ' ' ARG . . . . . 0.464 ' CG ' ' HA3' ' A' ' 62' ' ' GLY . 0.0 OUTLIER -72.03 -31.7 66.42 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.484 0.755 . . . . 0.0 110.303 179.995 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 5.5 pt-20 -58.12 -31.28 67.02 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.469 1.105 . . . . 0.0 110.268 -179.996 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 103' ' ' LEU . . . . . 0.42 ' CD1' ' HG2' ' A' ' 40' ' ' LYS . 43.1 mt -50.73 -45.04 58.44 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.521 1.138 . . . . 0.0 109.307 179.975 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 104' ' ' PHE . . . . . 0.421 ' CZ ' ' O ' ' A' ' 45' ' ' ILE . 41.9 m-85 . . . . . 0 C--N 1.325 -0.482 0 O-C-N 124.528 1.143 . . . . 0.0 111.044 179.966 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 23.2 mt-10 . . . . . 0 N--CA 1.453 -0.276 0 N-CA-C 110.273 -0.269 . . . . 0.0 110.273 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -112.18 143.9 42.46 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.567 1.167 . . . . 0.0 109.251 -179.977 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . 0.409 ' HD3' ' CG2' ' A' ' 92' ' ' THR . 0.0 OUTLIER -95.97 120.31 36.02 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.505 1.128 . . . . 0.0 109.291 179.982 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 19' ' ' VAL . . . . . 0.419 ' CG2' ' O ' ' A' ' 93' ' ' ILE . 0.2 OUTLIER -121.21 135.93 59.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.522 1.139 . . . . 0.0 109.27 -179.979 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 0.9 OUTLIER -108.76 113.93 27.28 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.44 1.088 . . . . 0.0 111.017 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 21' ' ' ILE . . . . . 0.463 ' CG1' HD11 ' A' ' 93' ' ' ILE . 20.9 mm -104.64 102.1 13.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.489 1.118 . . . . 0.0 109.297 179.977 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 7.4 t -102.19 131.69 48.57 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.465 1.103 . . . . 0.0 110.007 -179.999 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 2.7 mm? . . . . . 0 C--N 1.325 -0.494 0 O-C-N 124.507 1.129 . . . . 0.0 109.35 179.984 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.032 0 N-CA-C 110.992 -0.843 . . . . 0.0 110.992 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 31' ' ' CYS . . . . . 0.408 ' SG ' ' OG ' ' A' ' 54' ' ' SER . 26.0 p -115.67 146.97 41.37 Favored 'General case' 0 C--N 1.325 -0.471 0 N-CA-C 108.322 -0.992 . . . . 0.0 108.322 179.984 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -108.19 136.5 47.75 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.515 1.134 . . . . 0.0 109.981 -179.935 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 33' ' ' ILE . . . . . 0.467 HD12 ' CG2' ' A' ' 82' ' ' VAL . 13.6 pt -107.21 144.88 15.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.485 1.116 . . . . 0.0 109.339 179.948 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 25.0 m -128.07 152.88 47.44 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.476 1.11 . . . . 0.0 110.019 179.984 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 90.2 p -83.81 139.82 32.44 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.486 1.116 . . . . 0.0 109.988 179.994 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -90.88 162.0 28.52 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.501 1.126 . . . . 0.0 111.035 179.95 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 -170.2 0.74 Allowed 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.514 1.797 . . . . 0.0 110.976 -179.982 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 5.2 tt -73.92 -29.53 26.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.46 1.1 . . . . 0.0 109.276 -179.986 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 12.6 pt20 -79.65 -28.47 40.85 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.49 1.119 . . . . 0.0 110.295 -179.972 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 40' ' ' LYS . . . . . 0.47 ' N ' ' HD3' ' A' ' 41' ' ' PRO . 0.0 OUTLIER -136.77 61.83 38.02 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.514 1.134 . . . . 0.0 109.299 -179.971 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 41' ' ' PRO . . . . . 0.47 ' HD3' ' N ' ' A' ' 40' ' ' LYS . 18.3 Cg_endo -74.91 146.21 32.76 Favored 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.501 1.79 . . . . 0.0 111.037 179.967 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 142.31 -160.33 27.23 Favored Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.502 1.126 . . . . 0.0 110.983 179.979 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 15.0 mm -119.81 126.03 74.9 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.474 0.749 . . . . 0.0 109.277 -179.938 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 44' ' ' PHE . . . . . 0.589 ' N ' ' CD1' ' A' ' 44' ' ' PHE . 0.8 OUTLIER -137.06 140.86 42.31 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.47 1.106 . . . . 0.0 111.016 -179.986 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 45' ' ' ILE . . . . . 0.413 HG23 ' N ' ' A' ' 46' ' ' SER . 21.6 mt -64.96 142.25 17.16 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.515 1.134 . . . . 0.0 109.288 -179.993 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 46' ' ' SER . . . . . 0.413 ' N ' HG23 ' A' ' 45' ' ' ILE . 1.1 p -110.5 -35.91 5.91 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.501 1.125 . . . . 0.0 109.958 -179.948 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 57.1 t-80 -158.95 147.87 18.55 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.505 1.128 . . . . 0.0 109.635 -179.963 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 2.5 p . . . . . 0 C--N 1.325 -0.485 0 O-C-N 124.503 1.127 . . . . 0.0 109.271 -179.969 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 14.3 p . . . . . 0 N--CA 1.453 -0.29 0 N-CA-C 109.967 -0.382 . . . . 0.0 109.967 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . 0.448 ' O ' ' CG ' ' A' ' 56' ' ' GLU . 0.8 OUTLIER -88.45 -21.64 24.12 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.483 1.114 . . . . 0.0 109.304 -179.997 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 54' ' ' SER . . . . . 0.467 ' HB3' ' CD1' ' A' ' 59' ' ' LEU . 1.1 m -95.83 -29.75 14.05 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.543 1.152 . . . . 0.0 109.94 -179.949 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -73.49 -22.61 60.1 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.496 1.122 . . . . 0.0 109.33 -179.999 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . 0.448 ' CG ' ' O ' ' A' ' 53' ' ' LEU . 3.6 pt-20 -72.88 -37.98 67.14 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.468 1.105 . . . . 0.0 110.288 -179.981 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 57' ' ' VAL . . . . . 0.504 ' CG2' ' HG ' ' A' ' 59' ' ' LEU . 0.9 OUTLIER -79.99 -26.84 12.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.475 1.109 . . . . 0.0 109.305 179.952 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 104.99 43.69 1.61 Allowed Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.477 1.11 . . . . 0.0 111.008 -179.968 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 59' ' ' LEU . . . . . 0.504 ' HG ' ' CG2' ' A' ' 57' ' ' VAL . 19.2 mt -91.03 147.2 23.24 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.494 0.761 . . . . 0.0 109.281 179.978 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 33.0 mt-10 -143.9 163.02 34.6 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.503 1.127 . . . . 0.0 110.257 -179.993 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 32.7 mt -55.09 124.83 8.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.486 1.116 . . . . 0.0 109.296 179.993 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 121.01 -34.35 4.06 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.478 1.111 . . . . 0.0 111.008 -179.957 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 63' ' ' ASP . . . . . 0.471 ' OD2' ' CD2' ' A' ' 59' ' ' LEU . 90.8 m-20 -51.52 99.86 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.481 0.753 . . . . 0.0 109.313 -179.981 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 64' ' ' GLN . . . . . 0.578 ' HB2' ' CD2' ' A' ' 44' ' ' PHE . 29.5 tt0 -83.27 136.49 34.37 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.438 1.086 . . . . 0.0 110.314 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 65' ' ' ILE . . . . . 0.583 ' CG2' ' CG2' ' A' ' 68' ' ' VAL . 26.5 mt -89.54 109.73 20.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.479 1.112 . . . . 0.0 109.356 179.973 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 18.6 m -100.59 -21.4 5.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.507 1.13 . . . . 0.0 109.355 -179.998 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . 0.424 ' HG2' ' N ' ' A' ' 68' ' ' VAL . 27.6 tt0 -152.05 151.55 31.27 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.446 1.091 . . . . 0.0 110.306 179.964 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 68' ' ' VAL . . . . . 0.583 ' CG2' ' CG2' ' A' ' 65' ' ' ILE . 86.4 t -151.21 113.78 0.53 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.492 1.12 . . . . 0.0 109.314 -179.986 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 1.1 t-20 58.56 20.73 7.89 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.523 1.139 . . . . 0.0 109.32 -179.993 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 95.31 8.87 58.42 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.472 1.107 . . . . 0.0 111.007 -179.978 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 71' ' ' VAL . . . . . 0.427 ' CG2' ' O ' ' A' ' 68' ' ' VAL . 78.4 t -83.53 158.91 3.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.491 0.76 . . . . 0.0 109.261 -179.986 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 6.1 t0 -94.71 88.17 5.29 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.509 1.131 . . . . 0.0 109.328 179.958 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 73' ' ' PHE . . . . . 0.637 ' CD1' ' CD1' ' A' ' 76' ' ' LEU . 4.0 m-85 -91.85 17.17 9.49 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.477 1.111 . . . . 0.0 110.984 180.0 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -67.15 -38.38 85.38 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.502 1.126 . . . . 0.0 109.987 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 61.2 m-80 -140.11 54.5 1.64 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.565 1.166 . . . . 0.0 109.319 179.969 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 76' ' ' LEU . . . . . 0.637 ' CD1' ' CD1' ' A' ' 73' ' ' PHE . 6.2 mt -89.25 -166.76 1.68 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.505 1.128 . . . . 0.0 109.363 179.965 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 33.9 t70 -130.46 169.56 15.36 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.515 1.134 . . . . 0.0 109.283 179.982 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 78' ' ' HIS . . . . . . . . . . . . . 61.5 t-80 -70.51 -6.97 40.07 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.534 1.146 . . . . 0.0 109.584 179.979 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -108.96 -38.02 5.69 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.516 1.135 . . . . 0.0 109.29 -179.999 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 80' ' ' GLU . . . . . 0.494 ' O ' ' CG2' ' A' ' 84' ' ' VAL . 4.1 mt-10 -77.28 -38.05 51.61 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.535 1.147 . . . . 0.0 110.274 -179.99 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -69.62 -33.77 73.14 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.532 1.145 . . . . 0.0 109.264 -179.985 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 82' ' ' VAL . . . . . 0.471 ' O ' ' N ' ' A' ' 85' ' ' LEU . 55.3 t -77.52 -57.37 5.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.516 1.135 . . . . 0.0 109.273 -179.971 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 8.6 t30 -46.42 -44.7 17.45 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.505 1.128 . . . . 0.0 109.316 179.984 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 84' ' ' VAL . . . . . 0.494 ' CG2' ' O ' ' A' ' 80' ' ' GLU . 68.9 t -62.86 -33.23 59.18 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.506 1.129 . . . . 0.0 109.336 179.961 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 85' ' ' LEU . . . . . 0.471 ' N ' ' O ' ' A' ' 82' ' ' VAL . 37.8 mt -75.38 -34.8 61.13 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.494 1.121 . . . . 0.0 109.298 -179.96 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 86' ' ' LYS . . . . . 0.471 ' O ' ' C ' ' A' ' 87' ' ' SER . 2.4 mtmt -77.54 -28.94 52.04 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.413 1.071 . . . . 0.0 109.287 179.971 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 87' ' ' SER . . . . . 0.471 ' C ' ' O ' ' A' ' 86' ' ' LYS . 40.5 t -33.87 -70.5 0.08 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.526 1.141 . . . . 0.0 110.005 -179.985 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -125.57 176.93 6.52 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.486 1.116 . . . . 0.0 109.961 -179.995 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 22.5 mmt-85 -86.84 -57.4 2.99 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.532 1.145 . . . . 0.0 110.299 179.992 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -76.68 106.07 8.12 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.5 1.125 . . . . 0.0 110.013 -179.976 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -131.21 146.67 52.42 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.55 1.156 . . . . 0.0 109.277 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 92' ' ' THR . . . . . 0.409 ' CG2' ' HD3' ' A' ' 18' ' ' LYS . 26.6 m -105.85 101.22 10.73 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.551 1.157 . . . . 0.0 110.393 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 93' ' ' ILE . . . . . 0.463 HD11 ' CG1' ' A' ' 21' ' ' ILE . 13.6 mt -89.34 133.68 30.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.47 1.106 . . . . 0.0 109.305 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -115.17 103.08 10.51 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.48 1.112 . . . . 0.0 109.985 -179.974 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 1.1 pt -100.8 166.05 2.42 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.515 1.134 . . . . 0.0 109.262 -179.982 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 96' ' ' VAL . . . . . 0.497 ' O ' ' CG1' ' A' ' 96' ' ' VAL . 74.6 t -109.34 33.69 0.77 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.523 1.139 . . . . 0.0 109.325 179.983 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . 45.4 93.29 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.501 1.126 . . . . 0.0 109.31 179.983 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 98' ' ' ALA . . . . . 0.473 ' CB ' ' HG3' ' A' ' 101' ' ' ARG . . . 47.81 58.6 4.86 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.527 1.142 . . . . 0.0 109.274 179.983 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 99' ' ' ALA . . . . . 0.449 ' CB ' ' HB ' ' A' ' 96' ' ' VAL . . . -62.32 -64.93 0.77 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.49 1.119 . . . . 0.0 109.282 -179.98 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . -105.21 57.45 0.5 Allowed Glycine 0 CA--C 1.531 1.041 0 O-C-N 124.513 1.133 . . . . 0.0 110.988 -179.982 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 101' ' ' ARG . . . . . 0.473 ' HG3' ' CB ' ' A' ' 98' ' ' ALA . 0.0 OUTLIER -67.81 -26.84 66.28 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.497 0.763 . . . . 0.0 110.329 179.975 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 4.1 tp10 -50.73 -46.81 59.28 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.508 1.13 . . . . 0.0 110.272 179.991 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 103' ' ' LEU . . . . . 0.462 ' CD1' ' HG2' ' A' ' 40' ' ' LYS . 59.8 mt -42.94 -48.79 5.95 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.527 1.142 . . . . 0.0 109.358 179.987 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 104' ' ' PHE . . . . . . . . . . . . . 5.5 m-85 . . . . . 0 C--N 1.324 -0.501 0 O-C-N 124.553 1.158 . . . . 0.0 111.003 179.985 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 26.6 mt-10 . . . . . 0 N--CA 1.452 -0.325 0 N-CA-C 110.342 -0.244 . . . . 0.0 110.342 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . 0.471 ' HD2' ' CG1' ' A' ' 19' ' ' VAL . 0.1 OUTLIER -109.92 147.22 33.81 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.444 1.09 . . . . 0.0 109.288 -179.96 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -95.88 128.78 43.06 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.497 1.123 . . . . 0.0 109.334 179.965 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 19' ' ' VAL . . . . . 0.491 ' CG2' ' O ' ' A' ' 93' ' ' ILE . 23.9 m -125.4 156.58 34.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.481 1.113 . . . . 0.0 109.32 -179.985 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 20' ' ' PHE . . . . . 0.603 ' CE1' ' OG1' ' A' ' 92' ' ' THR . 2.3 t80 -131.23 111.48 11.95 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.49 1.119 . . . . 0.0 110.951 -179.986 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 21' ' ' ILE . . . . . 0.468 ' O ' ' CG2' ' A' ' 21' ' ' ILE . 1.1 mp -95.26 101.92 13.0 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.484 1.115 . . . . 0.0 109.31 -179.987 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 27.2 t -95.04 109.81 21.81 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.501 1.126 . . . . 0.0 109.952 -179.936 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . 0.468 ' HB2' ' CA ' ' A' ' 89' ' ' ARG . 0.4 OUTLIER . . . . . 0 C--N 1.325 -0.46 0 O-C-N 124.474 1.109 . . . . 0.0 109.31 179.967 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.029 0 N-CA-C 111.017 -0.833 . . . . 0.0 111.017 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 31' ' ' CYS . . . . . 0.427 ' CB ' HG21 ' A' ' 48' ' ' VAL . 27.9 p -139.05 142.48 38.2 Favored 'General case' 0 C--N 1.325 -0.48 0 N-CA-C 108.289 -1.004 . . . . 0.0 108.289 -179.98 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -88.14 133.25 34.05 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.48 1.113 . . . . 0.0 110.049 179.934 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 9.7 pt -112.8 143.19 23.0 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.528 0 O-C-N 124.529 1.143 . . . . 0.0 109.287 -179.98 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -137.55 166.23 24.4 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.459 1.099 . . . . 0.0 109.998 -179.988 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 61.6 m -104.17 133.23 49.44 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.499 1.125 . . . . 0.0 109.934 -179.983 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -72.99 178.06 41.06 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.525 1.14 . . . . 0.0 111.013 179.954 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 -171.4 0.97 Allowed 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.519 1.8 . . . . 0.0 110.97 -179.969 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 5.4 tt -73.38 -30.14 29.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.543 1.152 . . . . 0.0 109.29 -179.959 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 16.7 pt20 -77.64 -29.77 51.84 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.483 1.115 . . . . 0.0 110.309 179.997 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 40' ' ' LYS . . . . . 0.457 ' N ' ' HD3' ' A' ' 41' ' ' PRO . 22.6 tttp -137.77 62.53 35.03 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.505 1.128 . . . . 0.0 109.314 179.972 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 41' ' ' PRO . . . . . 0.457 ' HD3' ' N ' ' A' ' 40' ' ' LYS . 18.4 Cg_endo -75.01 146.99 33.26 Favored 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.517 1.799 . . . . 0.0 110.995 179.979 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 154.58 -168.04 32.65 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.528 1.142 . . . . 0.0 110.977 -179.966 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 14.6 mm -117.47 115.19 47.88 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.531 0.783 . . . . 0.0 109.292 -179.994 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 44' ' ' PHE . . . . . 0.595 ' CD2' ' HB2' ' A' ' 64' ' ' GLN . 2.2 m-85 -123.88 157.82 33.34 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.472 1.108 . . . . 0.0 111.001 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 45' ' ' ILE . . . . . 0.595 ' O ' ' CZ ' ' A' ' 104' ' ' PHE . 20.4 mt -86.26 142.72 12.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.447 1.092 . . . . 0.0 109.31 -179.977 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 46' ' ' SER . . . . . 0.497 ' HA ' ' CE1' ' A' ' 104' ' ' PHE . 1.0 OUTLIER -105.78 -37.4 6.72 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.485 1.116 . . . . 0.0 110.018 179.982 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 59.4 t-80 -151.28 166.44 30.94 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.483 1.114 . . . . 0.0 109.585 -179.976 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 48' ' ' VAL . . . . . 0.427 HG21 ' CB ' ' A' ' 31' ' ' CYS . 17.2 t . . . . . 0 C--N 1.325 -0.462 0 O-C-N 124.471 1.107 . . . . 0.0 109.275 -179.992 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 79.1 p . . . . . 0 N--CA 1.452 -0.325 0 N-CA-C 109.973 -0.38 . . . . 0.0 109.973 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . 0.455 ' CD2' ' HG ' ' A' ' 23' ' ' LEU . 1.5 tp -68.99 -15.43 63.48 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.494 1.121 . . . . 0.0 109.261 -179.953 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 54' ' ' SER . . . . . 0.481 ' O ' ' CG2' ' A' ' 57' ' ' VAL . 0.0 OUTLIER -94.1 -45.21 7.65 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.505 1.128 . . . . 0.0 109.987 -179.983 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 55' ' ' ALA . . . . . 0.445 ' O ' ' N ' ' A' ' 58' ' ' GLY . . . -66.53 -46.57 75.71 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.557 1.161 . . . . 0.0 109.31 179.989 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . 0.455 ' HG3' ' N ' ' A' ' 57' ' ' VAL . 11.5 pt-20 -44.63 -33.25 1.74 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.519 1.137 . . . . 0.0 110.298 -179.99 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 57' ' ' VAL . . . . . 0.481 ' CG2' ' O ' ' A' ' 54' ' ' SER . 34.6 m -95.04 -25.77 4.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.516 1.135 . . . . 0.0 109.319 179.959 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 58' ' ' GLY . . . . . 0.445 ' N ' ' O ' ' A' ' 55' ' ' ALA . . . 102.96 36.27 3.47 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.515 1.134 . . . . 0.0 111.044 -179.967 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 59' ' ' LEU . . . . . 0.46 ' HG ' ' CG2' ' A' ' 57' ' ' VAL . 18.0 mt -81.7 138.26 35.27 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.505 0.767 . . . . 0.0 109.269 -179.981 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 46.0 mt-10 -134.55 167.42 20.82 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.519 1.137 . . . . 0.0 110.295 179.981 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 61' ' ' ILE . . . . . 0.468 ' O ' ' CG ' ' A' ' 101' ' ' ARG . 36.6 mt -56.93 135.62 20.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.506 1.129 . . . . 0.0 109.321 179.948 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 107.23 -31.36 8.19 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.481 1.113 . . . . 0.0 111.016 -179.987 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 37.6 m-20 -54.2 97.54 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.499 0.764 . . . . 0.0 109.311 179.992 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 64' ' ' GLN . . . . . 0.595 ' HB2' ' CD2' ' A' ' 44' ' ' PHE . 36.1 tt0 -83.2 125.05 31.13 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.489 1.118 . . . . 0.0 110.254 -179.948 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 65' ' ' ILE . . . . . 0.612 ' CG2' ' CG2' ' A' ' 68' ' ' VAL . 20.0 mt -75.87 108.32 7.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.537 1.148 . . . . 0.0 109.302 179.938 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 20.9 m -99.34 -21.37 5.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.502 1.126 . . . . 0.0 109.338 179.932 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . 0.423 ' HG2' ' N ' ' A' ' 68' ' ' VAL . 36.1 tt0 -153.26 153.02 31.84 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.536 1.148 . . . . 0.0 110.275 -179.984 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 68' ' ' VAL . . . . . 0.612 ' CG2' ' CG2' ' A' ' 65' ' ' ILE . 94.3 t -152.64 115.38 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.529 1.143 . . . . 0.0 109.326 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER 56.36 24.11 8.02 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.484 1.115 . . . . 0.0 109.285 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 89.23 18.39 53.37 Favored Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.507 1.129 . . . . 0.0 110.969 179.968 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 71' ' ' VAL . . . . . 0.447 ' CG2' ' O ' ' A' ' 68' ' ' VAL . 86.6 t -93.63 158.68 2.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.535 0.785 . . . . 0.0 109.322 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 8.6 t0 -92.53 86.46 5.63 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.506 1.129 . . . . 0.0 109.293 -179.952 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 73' ' ' PHE . . . . . 0.584 ' CD1' HD11 ' A' ' 76' ' ' LEU . 4.6 m-85 -93.44 25.68 3.32 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.497 1.123 . . . . 0.0 111.021 -179.983 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -81.02 -34.93 32.5 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.5 1.125 . . . . 0.0 110.033 179.963 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 20.5 m120 -136.58 46.08 2.26 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.499 1.125 . . . . 0.0 109.297 179.995 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 76' ' ' LEU . . . . . 0.584 HD11 ' CD1' ' A' ' 73' ' ' PHE . 6.3 mt -84.72 -166.83 1.58 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.469 1.106 . . . . 0.0 109.32 -179.985 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 39.0 t70 -132.65 170.21 15.55 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.499 1.124 . . . . 0.0 109.285 179.999 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 78' ' ' HIS . . . . . . . . . . . . . 64.3 t-80 -71.39 -6.18 38.26 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.453 1.096 . . . . 0.0 109.583 179.996 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 18.0 mttt -109.39 -37.06 5.84 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.472 1.107 . . . . 0.0 109.34 179.97 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 9.4 mt-10 -77.91 -36.3 49.64 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.522 1.138 . . . . 0.0 110.262 -179.979 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -72.02 -31.89 66.63 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.557 1.161 . . . . 0.0 109.289 -179.976 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 82' ' ' VAL . . . . . 0.463 ' O ' ' N ' ' A' ' 86' ' ' LYS . 21.0 t -81.19 -40.2 18.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.52 1.138 . . . . 0.0 109.299 -179.983 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 36.1 t30 -62.03 -42.97 99.74 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.496 1.122 . . . . 0.0 109.289 179.989 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 78.5 t -73.99 -30.46 27.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.451 1.094 . . . . 0.0 109.276 -179.968 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 19.0 mt -76.85 -31.08 56.61 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.527 1.142 . . . . 0.0 109.259 -179.96 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 86' ' ' LYS . . . . . 0.463 ' N ' ' O ' ' A' ' 82' ' ' VAL . 8.9 ptpt -94.03 -9.37 37.01 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.488 1.118 . . . . 0.0 109.312 -179.99 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -53.62 -62.72 1.47 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.513 1.133 . . . . 0.0 109.983 -179.95 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 88' ' ' SER . . . . . 0.427 ' O ' ' CD1' ' A' ' 91' ' ' LEU . 0.2 OUTLIER -120.86 164.91 15.93 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.499 1.124 . . . . 0.0 109.973 179.993 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 89' ' ' ARG . . . . . 0.468 ' CA ' ' HB2' ' A' ' 23' ' ' LEU . 50.9 mmt-85 -74.06 -64.65 0.97 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.518 1.137 . . . . 0.0 110.284 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 1.1 m -81.25 122.44 27.42 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.546 1.154 . . . . 0.0 109.975 -179.96 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 91' ' ' LEU . . . . . 0.427 ' CD1' ' O ' ' A' ' 88' ' ' SER . 1.0 OUTLIER -140.94 149.21 41.56 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.521 1.138 . . . . 0.0 109.277 179.996 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 92' ' ' THR . . . . . 0.603 ' OG1' ' CE1' ' A' ' 20' ' ' PHE . 16.0 m -104.78 100.9 10.53 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.525 1.141 . . . . 0.0 110.424 179.971 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 93' ' ' ILE . . . . . 0.491 ' O ' ' CG2' ' A' ' 19' ' ' VAL . 22.7 mt -89.19 141.2 14.64 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.481 1.113 . . . . 0.0 109.308 -179.993 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -121.26 103.63 9.13 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.465 1.103 . . . . 0.0 110.007 -179.981 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 95' ' ' ILE . . . . . 0.463 ' CD1' ' HE2' ' A' ' 17' ' ' LYS . 1.1 pt -100.1 166.86 2.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.508 1.13 . . . . 0.0 109.33 179.994 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 96' ' ' VAL . . . . . 0.5 ' O ' ' CG1' ' A' ' 96' ' ' VAL . 71.0 t -108.28 31.5 0.96 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.491 1.119 . . . . 0.0 109.263 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 97' ' ' ALA . . . . . 0.413 ' O ' ' O ' ' A' ' 96' ' ' VAL . . . 47.27 96.04 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.557 1.16 . . . . 0.0 109.313 -179.976 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . 45.78 58.09 4.59 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.574 1.171 . . . . 0.0 109.299 179.994 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 99' ' ' ALA . . . . . 0.442 ' CB ' ' HB ' ' A' ' 96' ' ' VAL . . . -64.09 -61.54 2.2 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.439 1.087 . . . . 0.0 109.295 -179.962 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . -111.53 60.0 0.35 Allowed Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.509 1.13 . . . . 0.0 110.988 179.97 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 101' ' ' ARG . . . . . 0.468 ' CG ' ' O ' ' A' ' 61' ' ' ILE . 0.0 OUTLIER -72.06 -24.9 61.59 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.539 0.787 . . . . 0.0 110.3 179.965 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -70.48 -22.73 62.64 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.459 1.1 . . . . 0.0 110.301 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 21.1 mt -61.86 -21.71 64.91 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.534 1.146 . . . . 0.0 109.264 179.963 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 104' ' ' PHE . . . . . 0.595 ' CZ ' ' O ' ' A' ' 45' ' ' ILE . 56.9 m-85 . . . . . 0 C--N 1.325 -0.494 0 O-C-N 124.531 1.144 . . . . 0.0 110.998 179.989 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 N--CA 1.452 -0.34 0 N-CA-C 110.317 -0.253 . . . . 0.0 110.317 . . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . 0.42 ' CG ' HG13 ' A' ' 95' ' ' ILE . 0.0 OUTLIER -132.43 143.83 50.07 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.507 1.129 . . . . 0.0 109.363 179.971 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -100.82 112.03 24.36 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.473 1.108 . . . . 0.0 109.298 -179.95 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 19' ' ' VAL . . . . . 0.41 ' CG1' HG22 ' A' ' 57' ' ' VAL . 3.6 m -117.37 130.25 72.56 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.523 1.139 . . . . 0.0 109.292 -179.971 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 20' ' ' PHE . . . . . 0.415 ' CD1' ' O ' ' A' ' 91' ' ' LEU . 0.1 OUTLIER -108.11 110.28 21.9 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.443 1.089 . . . . 0.0 110.995 179.977 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 20.6 mm -97.01 121.05 47.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.435 1.084 . . . . 0.0 109.261 -179.964 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 82.6 p -118.7 119.54 34.76 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.546 1.154 . . . . 0.0 109.996 -179.993 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 4.4 mm? . . . . . 0 C--N 1.325 -0.479 0 O-C-N 124.523 1.14 . . . . 0.0 109.276 -179.97 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.029 0 N-CA-C 110.962 -0.855 . . . . 0.0 110.962 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 31' ' ' CYS . . . . . 0.401 ' HA ' ' O ' ' A' ' 47' ' ' HIS . 26.5 p -119.27 147.13 44.63 Favored 'General case' 0 C--N 1.324 -0.51 0 N-CA-C 108.312 -0.995 . . . . 0.0 108.312 179.945 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -109.45 135.44 50.48 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.52 1.137 . . . . 0.0 109.983 -179.971 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 14.9 pt -104.66 152.65 6.7 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 O-C-N 124.505 1.128 . . . . 0.0 109.281 -179.945 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 59.1 p -132.42 159.21 39.95 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.509 1.131 . . . . 0.0 109.967 -179.96 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 24.3 p -88.1 147.93 24.7 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.5 1.125 . . . . 0.0 110.025 179.984 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -104.08 160.4 16.02 Favored Glycine 0 CA--C 1.53 0.969 0 O-C-N 124.496 1.123 . . . . 0.0 110.985 -179.97 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 -166.64 0.36 Allowed 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.504 1.792 . . . . 0.0 110.978 -179.96 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 0.8 OUTLIER -76.65 -30.48 18.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.524 1.14 . . . . 0.0 109.307 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 7.7 pt20 -79.29 -28.31 42.24 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.489 1.118 . . . . 0.0 110.281 -179.996 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 40' ' ' LYS . . . . . 0.475 ' N ' ' HD3' ' A' ' 41' ' ' PRO . 0.0 OUTLIER -136.22 61.26 38.3 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.533 1.145 . . . . 0.0 109.298 -179.972 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 41' ' ' PRO . . . . . 0.475 ' HD3' ' N ' ' A' ' 40' ' ' LYS . 18.4 Cg_endo -74.97 146.72 33.12 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.5 1.79 . . . . 0.0 111.037 179.984 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 138.09 -168.67 24.5 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.492 1.12 . . . . 0.0 111.001 -179.982 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 14.4 mm -109.85 123.99 66.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.475 0.75 . . . . 0.0 109.295 -179.991 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 44' ' ' PHE . . . . . 0.577 ' CD2' ' HB2' ' A' ' 64' ' ' GLN . 1.4 m-85 -129.67 139.83 51.29 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.483 1.115 . . . . 0.0 110.991 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 45' ' ' ILE . . . . . 0.608 ' O ' ' CZ ' ' A' ' 104' ' ' PHE . 8.6 mt -63.88 147.21 12.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.48 1.113 . . . . 0.0 109.298 179.954 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 46' ' ' SER . . . . . 0.435 ' HG ' ' N ' ' A' ' 47' ' ' HIS . 1.5 p -117.17 -37.62 3.51 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.492 1.12 . . . . 0.0 110.026 179.978 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 47' ' ' HIS . . . . . 0.435 ' N ' ' HG ' ' A' ' 46' ' ' SER . 57.3 t-80 -158.96 147.68 18.4 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.493 1.121 . . . . 0.0 109.613 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 2.5 p . . . . . 0 C--N 1.325 -0.473 0 O-C-N 124.535 1.147 . . . . 0.0 109.282 179.978 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 26.6 p . . . . . 0 N--CA 1.453 -0.309 0 N-CA-C 110.032 -0.359 . . . . 0.0 110.032 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . 0.474 ' O ' ' CG ' ' A' ' 56' ' ' GLU . 0.8 OUTLIER -86.83 -20.6 27.28 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.506 1.129 . . . . 0.0 109.274 179.985 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 54' ' ' SER . . . . . 0.482 ' HB3' ' CD1' ' A' ' 59' ' ' LEU . 0.7 OUTLIER -94.66 -30.93 14.07 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.469 1.106 . . . . 0.0 110.028 179.962 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -70.36 -19.88 63.01 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.491 1.12 . . . . 0.0 109.307 179.975 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . 0.474 ' CG ' ' O ' ' A' ' 53' ' ' LEU . 2.3 pt-20 -78.01 -33.67 51.11 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.563 1.164 . . . . 0.0 110.309 179.988 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 57' ' ' VAL . . . . . 0.511 ' CG2' ' HG ' ' A' ' 59' ' ' LEU . 0.9 OUTLIER -83.68 -23.91 7.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.478 1.111 . . . . 0.0 109.297 -179.963 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 100.86 39.09 3.22 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.436 1.085 . . . . 0.0 110.957 179.954 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 59' ' ' LEU . . . . . 0.511 ' HG ' ' CG2' ' A' ' 57' ' ' VAL . 13.4 mt -84.8 148.71 26.18 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.505 0.768 . . . . 0.0 109.368 179.943 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 33.8 mt-10 -145.47 162.87 36.33 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.505 1.128 . . . . 0.0 110.318 -179.993 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 61' ' ' ILE . . . . . 0.444 ' O ' ' NH1' ' A' ' 101' ' ' ARG . 42.5 mt -56.05 124.25 8.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.532 1.145 . . . . 0.0 109.312 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 121.27 -38.64 2.6 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.447 1.092 . . . . 0.0 111.022 -179.942 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 63' ' ' ASP . . . . . 0.471 ' OD2' ' CD2' ' A' ' 59' ' ' LEU . 92.1 m-20 -48.04 98.0 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.514 0.773 . . . . 0.0 109.275 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 64' ' ' GLN . . . . . 0.577 ' HB2' ' CD2' ' A' ' 44' ' ' PHE . 5.1 tt0 -83.11 134.4 35.0 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.477 1.11 . . . . 0.0 110.312 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 65' ' ' ILE . . . . . 0.611 ' CG2' ' CG2' ' A' ' 68' ' ' VAL . 7.2 mt -88.51 110.62 21.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.483 1.114 . . . . 0.0 109.316 179.974 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 19.4 m -100.67 -21.65 5.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.48 1.112 . . . . 0.0 109.271 -179.997 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . 0.451 ' HG2' ' N ' ' A' ' 68' ' ' VAL . 48.6 tt0 -150.69 152.77 34.43 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.52 1.138 . . . . 0.0 110.3 179.958 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 68' ' ' VAL . . . . . 0.611 ' CG2' ' CG2' ' A' ' 65' ' ' ILE . 85.0 t -152.6 121.34 0.76 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.494 1.121 . . . . 0.0 109.255 -179.93 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 69' ' ' ASN . . . . . 0.403 ' N ' ' O ' ' A' ' 92' ' ' THR . 1.1 t-20 49.69 28.81 2.8 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.513 1.133 . . . . 0.0 109.3 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 84.37 24.67 46.34 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.485 1.115 . . . . 0.0 110.987 179.986 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 71' ' ' VAL . . . . . 0.501 ' CG2' ' O ' ' A' ' 68' ' ' VAL . 94.9 t -99.56 158.99 3.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.505 0.767 . . . . 0.0 109.261 -179.982 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 6.1 t0 -94.65 88.9 5.56 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.419 1.075 . . . . 0.0 109.286 179.981 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 73' ' ' PHE . . . . . 0.591 ' CE1' ' HB ' ' A' ' 68' ' ' VAL . 4.5 m-85 -93.97 12.78 24.96 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.492 1.12 . . . . 0.0 110.957 -179.976 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -64.04 -37.05 86.02 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.498 1.124 . . . . 0.0 109.963 -179.971 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 54.9 m-80 -141.1 55.8 1.55 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.498 1.124 . . . . 0.0 109.295 -179.998 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 76' ' ' LEU . . . . . 0.581 ' CD1' ' CD1' ' A' ' 73' ' ' PHE . 5.6 mt -88.97 -166.17 1.53 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.479 1.112 . . . . 0.0 109.299 -179.989 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 20.4 t70 -129.93 169.01 15.77 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.493 1.121 . . . . 0.0 109.323 179.996 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 78' ' ' HIS . . . . . . . . . . . . . 64.9 t-80 -70.97 -6.61 40.03 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.502 1.126 . . . . 0.0 109.618 179.961 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 4.7 mttm -110.1 -37.88 5.46 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.522 1.139 . . . . 0.0 109.323 179.994 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 12.2 mt-10 -76.31 -34.92 59.03 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.56 1.162 . . . . 0.0 110.28 179.995 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -72.73 -35.93 67.64 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.434 1.084 . . . . 0.0 109.28 -179.988 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 82' ' ' VAL . . . . . 0.469 HG12 ' CE ' ' A' ' 86' ' ' LYS . 45.7 t -78.83 -36.15 18.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.499 1.124 . . . . 0.0 109.287 179.997 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 83' ' ' ASN . . . . . 0.43 ' O ' ' N ' ' A' ' 87' ' ' SER . 20.1 t30 -64.19 -47.15 80.89 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.51 1.131 . . . . 0.0 109.36 -180.0 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 77.8 t -68.51 -30.57 47.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.494 1.121 . . . . 0.0 109.288 179.971 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 23.4 mt -76.25 -40.18 52.55 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.531 1.144 . . . . 0.0 109.263 -179.974 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 86' ' ' LYS . . . . . 0.469 ' CE ' HG12 ' A' ' 82' ' ' VAL . 9.2 ptpt -86.49 -5.92 59.03 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.528 1.142 . . . . 0.0 109.339 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 87' ' ' SER . . . . . 0.43 ' N ' ' O ' ' A' ' 83' ' ' ASN . 0.2 OUTLIER -57.22 -52.26 66.03 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.486 1.116 . . . . 0.0 110.023 -179.987 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -133.87 176.04 8.93 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.503 1.127 . . . . 0.0 109.987 179.962 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 5.9 mmt180 -86.91 -60.33 2.01 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.522 1.139 . . . . 0.0 110.277 -179.977 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -81.53 116.21 21.2 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.493 1.121 . . . . 0.0 110.015 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 91' ' ' LEU . . . . . 0.415 ' O ' ' CD1' ' A' ' 20' ' ' PHE . 1.0 OUTLIER -139.93 149.27 43.11 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.561 1.163 . . . . 0.0 109.31 -179.992 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 92' ' ' THR . . . . . 0.403 ' O ' ' N ' ' A' ' 69' ' ' ASN . 20.8 m -106.1 103.5 12.99 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.47 1.106 . . . . 0.0 110.384 -179.981 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 18.6 mt -89.68 139.41 17.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.445 1.091 . . . . 0.0 109.252 -179.981 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -123.53 100.54 6.86 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.535 1.147 . . . . 0.0 109.962 -179.983 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 95' ' ' ILE . . . . . 0.42 HG13 ' CG ' ' A' ' 17' ' ' LYS . 1.8 pt -100.19 174.27 0.99 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.478 1.111 . . . . 0.0 109.334 179.959 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 96' ' ' VAL . . . . . 0.513 ' O ' ' CG1' ' A' ' 96' ' ' VAL . 76.9 t -112.31 34.45 0.89 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.491 1.119 . . . . 0.0 109.296 -179.963 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . 45.91 93.94 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.502 1.126 . . . . 0.0 109.324 -179.984 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 98' ' ' ALA . . . . . 0.413 ' CB ' ' HG3' ' A' ' 101' ' ' ARG . . . 48.16 57.12 6.45 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.506 1.129 . . . . 0.0 109.327 -179.978 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 99' ' ' ALA . . . . . 0.426 ' CB ' ' HB ' ' A' ' 96' ' ' VAL . . . -61.15 -67.99 0.35 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.483 1.115 . . . . 0.0 109.328 -179.968 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . -102.71 57.34 0.6 Allowed Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.514 1.134 . . . . 0.0 111.007 179.986 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 101' ' ' ARG . . . . . 0.444 ' NH1' ' O ' ' A' ' 61' ' ' ILE . 0.0 OUTLIER -66.2 -33.81 76.61 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.483 0.755 . . . . 0.0 110.285 -179.996 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 14.0 pt-20 -49.95 -41.24 46.08 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.509 1.131 . . . . 0.0 110.324 -179.975 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 103' ' ' LEU . . . . . 0.542 HD12 ' CD2' ' A' ' 44' ' ' PHE . 63.9 mt -41.31 -42.82 2.29 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.499 1.124 . . . . 0.0 109.319 179.981 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 104' ' ' PHE . . . . . 0.608 ' CZ ' ' O ' ' A' ' 45' ' ' ILE . 19.2 m-85 . . . . . 0 C--N 1.325 -0.464 0 O-C-N 124.494 1.121 . . . . 0.0 111.009 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.968 0 N-CA-C 110.992 -0.843 . . . . 0.0 110.992 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 16.7 p -164.0 108.59 1.0 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.466 0.745 . . . . 0.0 110.016 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -170.53 117.3 0.51 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.539 1.15 . . . . 0.0 110.012 179.977 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -120.07 143.36 16.71 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.518 1.136 . . . . 0.0 110.995 -179.976 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -134.21 126.19 29.38 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.493 0.761 . . . . 0.0 110.028 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 32.6 t -82.52 -27.35 31.78 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.54 1.15 . . . . 0.0 110.011 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 64.0 160.87 0.39 Allowed Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.514 1.134 . . . . 0.0 110.954 179.973 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 12.6 m -101.21 107.93 52.58 Favored Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.464 0.743 . . . . 0.0 109.999 -179.946 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 177.73 8.18 Favored 'Trans proline' 0 C--N 1.359 1.117 0 O-C-N 124.476 1.777 . . . . 0.0 110.981 -179.97 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 134.01 87.78 0.3 Allowed Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.471 1.107 . . . . 0.0 110.997 179.958 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 15.9 p30 -159.74 149.68 18.52 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.496 0.763 . . . . 0.0 109.296 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 7.9 mtp85 -159.34 90.5 0.96 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.447 1.092 . . . . 0.0 110.301 -179.946 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -154.45 160.43 41.61 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.525 1.141 . . . . 0.0 110.286 -180.0 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 6.0 m-20 -142.93 -57.64 0.43 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.561 1.163 . . . . 0.0 109.306 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 7.9 mttt -72.79 170.92 13.63 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.446 1.091 . . . . 0.0 109.322 179.972 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 17.0 mt-10 45.29 90.03 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.556 1.16 . . . . 0.0 110.249 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -110.25 149.64 29.85 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.521 1.138 . . . . 0.0 109.275 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -101.99 119.71 39.24 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.479 1.112 . . . . 0.0 109.262 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -120.9 117.32 52.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.521 1.138 . . . . 0.0 109.261 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' PHE . . . . . 0.575 ' CE2' ' OG1' ' A' ' 92' ' ' THR . 0.1 OUTLIER -96.35 114.19 25.84 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.497 1.123 . . . . 0.0 110.998 179.99 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' ILE . . . . . 0.501 ' CD1' ' O ' ' A' ' 53' ' ' LEU . 8.6 mm -96.83 123.26 49.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.51 1.131 . . . . 0.0 109.28 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 22.4 t -111.16 123.74 50.8 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.522 1.139 . . . . 0.0 109.976 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 2.9 mm? -98.67 66.96 1.7 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.464 1.102 . . . . 0.0 109.266 -179.974 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 2.5 m -134.36 168.65 23.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.51 1.131 . . . . 0.0 109.306 179.977 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 45.29 -165.82 0.05 OUTLIER Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.49 1.119 . . . . 0.0 111.024 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 28.1 t -73.28 84.35 1.41 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.522 0.777 . . . . 0.0 110.038 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . 0.454 ' CG ' HD23 ' A' ' 53' ' ' LEU . 1.2 tpp180 -178.83 111.37 0.06 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.517 1.136 . . . . 0.0 110.302 -179.945 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -130.24 133.51 7.42 Favored Glycine 0 CA--C 1.531 1.051 0 O-C-N 124.544 1.152 . . . . 0.0 110.994 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 2.2 tp -40.9 146.78 0.14 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.521 0.777 . . . . 0.0 109.332 179.965 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . 0.413 ' N ' ' HB2' ' A' ' 52' ' ' SER . . . -146.47 30.78 1.56 Allowed Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.471 1.107 . . . . 0.0 111.005 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 21.8 p -110.67 149.21 30.78 Favored 'General case' 0 C--N 1.325 -0.461 0 N-CA-C 108.225 -1.028 . . . . 0.0 108.225 -179.916 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -100.36 140.42 34.63 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.464 1.102 . . . . 0.0 109.978 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 9.2 pt -113.66 145.66 19.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.483 1.114 . . . . 0.0 109.308 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -125.72 166.83 16.06 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.502 1.126 . . . . 0.0 110.038 179.973 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 16.7 p -109.14 126.77 53.58 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.5 1.125 . . . . 0.0 110.012 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -76.13 168.79 54.83 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.473 1.108 . . . . 0.0 110.983 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.04 -172.92 1.39 Allowed 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.51 1.795 . . . . 0.0 111.017 179.966 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 5.3 tt -71.65 -29.53 34.79 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.53 1.144 . . . . 0.0 109.307 -179.975 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 10.8 pt20 -77.44 -31.82 54.14 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.48 1.113 . . . . 0.0 110.282 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . 0.452 ' N ' ' HD3' ' A' ' 41' ' ' PRO . 25.3 tttp -137.79 62.43 34.44 Favored Pre-proline 0 C--N 1.326 -0.454 0 O-C-N 124.467 1.105 . . . . 0.0 109.346 179.949 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' PRO . . . . . 0.452 ' HD3' ' N ' ' A' ' 40' ' ' LYS . 18.4 Cg_endo -74.96 144.97 31.05 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.508 1.794 . . . . 0.0 110.999 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 156.69 -168.19 33.77 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.443 1.089 . . . . 0.0 111.022 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 6.9 mm -118.51 115.24 47.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.499 0.764 . . . . 0.0 109.294 179.96 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 44' ' ' PHE . . . . . 0.571 ' CD2' ' HB2' ' A' ' 64' ' ' GLN . 2.2 m-85 -121.65 147.59 45.67 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.45 1.094 . . . . 0.0 111.012 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 45' ' ' ILE . . . . . 0.417 HG23 ' N ' ' A' ' 46' ' ' SER . 19.3 mt -76.41 140.3 17.45 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.462 1.101 . . . . 0.0 109.318 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 46' ' ' SER . . . . . 0.417 ' N ' HG23 ' A' ' 45' ' ' ILE . 0.6 OUTLIER -105.49 -38.37 6.48 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.497 1.123 . . . . 0.0 109.996 179.991 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 60.4 t-80 -153.64 157.39 39.55 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.477 1.111 . . . . 0.0 109.595 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 52.7 t -134.38 124.55 45.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.519 1.137 . . . . 0.0 109.317 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 29.0 mtpt -72.69 149.92 90.77 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.463 1.102 . . . . 0.0 109.318 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 111.59 3.36 Favored 'Trans proline' 0 C--N 1.359 1.124 0 O-C-N 124.453 1.765 . . . . 0.0 110.962 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 91.41 32.07 9.07 Favored Glycine 0 CA--C 1.531 1.048 0 O-C-N 124.542 1.151 . . . . 0.0 110.992 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 52' ' ' SER . . . . . 0.413 ' HB2' ' N ' ' A' ' 30' ' ' GLY . 34.7 p -96.03 174.58 6.85 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.56 0.8 . . . . 0.0 110.007 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . 0.501 ' O ' ' CD1' ' A' ' 21' ' ' ILE . 0.1 OUTLIER -65.07 -19.99 66.26 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.535 1.147 . . . . 0.0 109.256 -179.964 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 54' ' ' SER . . . . . 0.465 ' O ' ' CG2' ' A' ' 57' ' ' VAL . 0.1 OUTLIER -94.55 -32.62 13.38 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.458 1.099 . . . . 0.0 110.01 -179.965 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -70.11 -35.5 74.18 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.507 1.129 . . . . 0.0 109.26 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . 0.432 ' HG3' ' N ' ' A' ' 57' ' ' VAL . 6.4 pt-20 -59.79 -37.03 77.95 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.48 1.113 . . . . 0.0 110.312 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 57' ' ' VAL . . . . . 0.465 ' CG2' ' O ' ' A' ' 54' ' ' SER . 29.7 m -81.83 -21.35 10.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.509 1.131 . . . . 0.0 109.312 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 94.82 28.6 9.97 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.518 1.136 . . . . 0.0 111.041 -179.954 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . 0.433 ' HG ' ' CG2' ' A' ' 57' ' ' VAL . 14.9 mt -69.22 141.42 54.48 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.486 0.756 . . . . 0.0 109.298 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 18.5 mt-10 -132.71 169.4 16.73 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.487 1.117 . . . . 0.0 110.323 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 80.5 mt -62.97 132.18 28.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.49 1.119 . . . . 0.0 109.293 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 116.64 -31.75 5.81 Favored Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.462 1.101 . . . . 0.0 111.032 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 75.3 m-20 -55.53 98.31 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.497 0.763 . . . . 0.0 109.308 179.93 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 64' ' ' GLN . . . . . 0.571 ' HB2' ' CD2' ' A' ' 44' ' ' PHE . 52.1 tt0 -83.13 130.51 35.12 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.49 1.119 . . . . 0.0 110.291 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 65' ' ' ILE . . . . . 0.622 ' CG2' ' CG2' ' A' ' 68' ' ' VAL . 19.0 mt -83.89 108.4 16.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.466 1.104 . . . . 0.0 109.289 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 9.3 m -98.1 -24.66 4.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.493 1.121 . . . . 0.0 109.32 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . 0.43 ' HG2' ' N ' ' A' ' 68' ' ' VAL . 29.7 tt0 -150.24 152.97 35.4 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.481 1.113 . . . . 0.0 110.264 -179.974 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 68' ' ' VAL . . . . . 0.622 ' CG2' ' CG2' ' A' ' 65' ' ' ILE . 98.9 t -152.26 112.09 0.41 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.482 1.114 . . . . 0.0 109.308 179.957 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 1.1 t-20 58.15 31.47 20.79 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.533 1.145 . . . . 0.0 109.329 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 81.22 22.42 60.82 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.477 1.111 . . . . 0.0 110.995 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 71' ' ' VAL . . . . . 0.489 ' CG2' ' O ' ' A' ' 68' ' ' VAL . 60.8 t -99.07 158.66 3.56 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.537 0.787 . . . . 0.0 109.297 179.972 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 72' ' ' ASP . . . . . 0.446 ' OD1' ' ND2' ' A' ' 75' ' ' ASN . 1.9 t70 -93.43 86.66 5.32 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.536 1.148 . . . . 0.0 109.351 179.968 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 73' ' ' PHE . . . . . 0.603 ' CD1' ' CD1' ' A' ' 76' ' ' LEU . 4.3 m-85 -93.41 16.99 12.14 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.511 1.132 . . . . 0.0 110.987 -179.977 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -88.6 -1.79 58.25 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.53 1.144 . . . . 0.0 110.03 179.96 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 75' ' ' ASN . . . . . 0.446 ' ND2' ' OD1' ' A' ' 72' ' ' ASP . 2.0 p30 -154.62 24.35 0.46 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.532 1.145 . . . . 0.0 109.305 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 76' ' ' LEU . . . . . 0.603 ' CD1' ' CD1' ' A' ' 73' ' ' PHE . 7.0 mt -78.45 -167.99 1.23 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.525 1.141 . . . . 0.0 109.255 -179.967 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 16.8 t70 -134.65 175.08 9.87 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.548 1.155 . . . . 0.0 109.262 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 78' ' ' HIS . . . . . . . . . . . . . 66.1 t-80 -73.27 -6.87 48.82 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.49 1.119 . . . . 0.0 109.626 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 15.6 mmtt -108.21 -37.57 5.99 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.482 1.114 . . . . 0.0 109.309 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 2.3 mm-40 -79.56 -36.31 38.47 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.536 1.148 . . . . 0.0 110.279 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 81' ' ' ALA . . . . . 0.413 ' O ' ' CG ' ' A' ' 85' ' ' LEU . . . -72.45 -29.01 63.29 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.483 1.114 . . . . 0.0 109.304 -179.968 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 82' ' ' VAL . . . . . 0.441 ' O ' ' N ' ' A' ' 86' ' ' LYS . 18.0 t -80.84 -45.14 21.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.474 1.109 . . . . 0.0 109.34 179.961 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 83' ' ' ASN . . . . . 0.411 ' O ' ' N ' ' A' ' 87' ' ' SER . 43.4 t30 -59.88 -46.24 89.96 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.481 1.113 . . . . 0.0 109.306 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 62.8 t -67.27 -34.44 69.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.471 1.107 . . . . 0.0 109.272 -179.951 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 85' ' ' LEU . . . . . 0.413 ' CG ' ' O ' ' A' ' 81' ' ' ALA . 23.6 mt -73.02 -34.9 66.63 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.506 1.129 . . . . 0.0 109.337 179.979 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 86' ' ' LYS . . . . . 0.441 ' N ' ' O ' ' A' ' 82' ' ' VAL . 0.0 OUTLIER -90.64 -3.74 57.3 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.491 1.119 . . . . 0.0 109.316 179.966 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 87' ' ' SER . . . . . 0.411 ' N ' ' O ' ' A' ' 83' ' ' ASN . 36.8 t -56.78 -66.05 0.51 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.477 1.11 . . . . 0.0 109.981 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -116.63 171.58 7.78 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.506 1.129 . . . . 0.0 109.981 -179.97 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 4.8 mmp_? -78.53 -60.71 2.26 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.465 1.103 . . . . 0.0 110.331 179.967 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 5.6 p -87.03 123.17 31.83 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.491 1.12 . . . . 0.0 110.028 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 1.1 mt -140.71 144.89 35.85 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.491 1.119 . . . . 0.0 109.26 -179.964 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 92' ' ' THR . . . . . 0.575 ' OG1' ' CE2' ' A' ' 20' ' ' PHE . 9.6 m -100.81 101.58 12.46 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.481 1.113 . . . . 0.0 110.437 179.954 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 93' ' ' ILE . . . . . 0.413 ' CD1' HG13 ' A' ' 21' ' ' ILE . 14.2 mt -89.66 135.07 27.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.5 1.125 . . . . 0.0 109.265 -179.925 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -114.35 100.96 8.71 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.522 1.139 . . . . 0.0 109.975 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 1.2 pt -100.4 167.3 2.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.482 1.114 . . . . 0.0 109.285 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 96' ' ' VAL . . . . . 0.483 ' O ' ' CG1' ' A' ' 96' ' ' VAL . 83.4 t -109.48 33.51 0.8 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.542 1.151 . . . . 0.0 109.272 -179.98 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 97' ' ' ALA . . . . . 0.415 ' O ' ' O ' ' A' ' 96' ' ' VAL . . . 44.33 94.02 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.467 1.104 . . . . 0.0 109.286 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 98' ' ' ALA . . . . . 0.468 ' CB ' ' HG3' ' A' ' 101' ' ' ARG . . . 48.59 57.94 5.77 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.509 1.131 . . . . 0.0 109.318 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 99' ' ' ALA . . . . . 0.466 ' CB ' ' HB ' ' A' ' 96' ' ' VAL . . . -62.32 -63.86 1.11 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.434 1.084 . . . . 0.0 109.296 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . -106.96 59.15 0.39 Allowed Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.505 1.128 . . . . 0.0 110.971 -179.978 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 101' ' ' ARG . . . . . 0.468 ' HG3' ' CB ' ' A' ' 98' ' ' ALA . 0.1 OUTLIER -71.98 -21.93 61.51 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.523 0.778 . . . . 0.0 110.34 180.0 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -75.57 -17.86 59.93 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.512 1.132 . . . . 0.0 110.281 179.978 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 103' ' ' LEU . . . . . 0.409 HD11 ' CE2' ' A' ' 44' ' ' PHE . 26.2 mt -66.82 -14.61 62.86 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.522 1.139 . . . . 0.0 109.276 -179.971 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 104' ' ' PHE . . . . . . . . . . . . . 82.0 m-85 -124.55 -50.34 1.75 Allowed 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.488 1.118 . . . . 0.0 111.002 -179.959 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 105' ' ' MET . . . . . 0.425 ' O ' ' N ' ' A' ' 107' ' ' ASP . 21.8 mmt -45.03 -51.47 9.96 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.524 1.14 . . . . 0.0 111.045 179.955 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 19.9 m -43.47 96.61 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.529 1.143 . . . . 0.0 110.421 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 107' ' ' ASP . . . . . 0.425 ' N ' ' O ' ' A' ' 105' ' ' MET . 1.4 t0 73.37 141.21 0.06 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.53 1.144 . . . . 0.0 109.295 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -121.11 94.01 4.2 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.473 1.108 . . . . 0.0 110.274 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 44.2 t -78.82 -59.63 2.7 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.537 1.148 . . . . 0.0 109.976 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 84.8 88.17 0.88 Allowed Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.535 1.147 . . . . 0.0 110.983 180.0 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 111' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 175.4 11.29 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.476 1.777 . . . . 0.0 110.962 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 13.6 t -115.31 -57.65 2.22 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.536 1.147 . . . . 0.0 110.005 179.973 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -141.72 105.79 4.77 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.535 1.147 . . . . 0.0 109.962 179.979 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.986 0 O-C-N 124.542 1.151 . . . . 0.0 111.02 179.971 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.005 0 N-CA-C 111.014 -0.834 . . . . 0.0 111.014 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 18.8 t -151.22 116.15 5.24 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.524 0.779 . . . . 0.0 109.965 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 3.8 t -149.66 152.03 34.7 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.53 1.144 . . . . 0.0 109.984 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 168.72 169.68 32.44 Favored Glycine 0 CA--C 1.529 0.964 0 O-C-N 124.474 1.109 . . . . 0.0 111.026 -179.978 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 73.8 m 64.33 107.07 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.443 0.731 . . . . 0.0 109.944 179.944 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 3.5 m -100.4 -23.31 14.78 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.477 1.111 . . . . 0.0 110.039 179.964 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 64.44 105.14 0.01 OUTLIER Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.509 1.13 . . . . 0.0 111.01 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -136.3 159.4 70.93 Favored Pre-proline 0 C--N 1.324 -0.503 0 O-C-N 124.515 0.774 . . . . 0.0 109.984 179.982 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 -177.48 3.5 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.511 1.795 . . . . 0.0 111.036 179.97 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -122.61 102.67 0.79 Allowed Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.511 1.132 . . . . 0.0 110.986 -179.974 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 62.9 t-20 -177.06 111.68 0.08 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.545 0.791 . . . . 0.0 109.28 179.971 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 6.1 ttt180 -169.51 152.35 4.73 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.502 1.126 . . . . 0.0 110.299 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER 60.76 87.94 0.09 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.518 1.136 . . . . 0.0 110.294 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 1.6 m-20 170.81 -60.26 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.484 1.115 . . . . 0.0 109.309 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 12.7 mttt -112.01 171.03 7.74 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.471 1.107 . . . . 0.0 109.266 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 19.7 mt-10 45.83 90.5 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.511 1.132 . . . . 0.0 110.311 180.0 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -112.21 148.4 34.15 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.478 1.111 . . . . 0.0 109.284 -179.981 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -98.19 121.07 39.67 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.505 1.128 . . . . 0.0 109.288 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . 0.441 ' O ' ' N ' ' A' ' 93' ' ' ILE . 0.6 OUTLIER -126.13 127.06 70.57 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.562 1.164 . . . . 0.0 109.26 -179.985 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' PHE . . . . . 0.598 ' CE2' ' OG1' ' A' ' 92' ' ' THR . 0.1 OUTLIER -106.53 115.68 30.62 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.555 1.16 . . . . 0.0 111.006 179.971 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' ILE . . . . . 0.45 ' CG1' HD13 ' A' ' 93' ' ' ILE . 17.9 mm -95.36 107.87 20.16 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.522 1.139 . . . . 0.0 109.316 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 3.5 m -101.6 118.66 37.4 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.49 1.119 . . . . 0.0 109.968 -179.95 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 2.1 mp -95.41 77.04 3.37 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.484 1.115 . . . . 0.0 109.314 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -154.41 155.98 5.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.496 1.123 . . . . 0.0 109.283 -179.971 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 77.14 57.01 3.81 Favored Glycine 0 CA--C 1.529 0.937 0 O-C-N 124.456 1.098 . . . . 0.0 111.05 -179.975 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 46.66 88.72 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.408 0.71 . . . . 0.0 110.002 -179.981 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . 0.425 ' HB3' ' CD2' ' A' ' 53' ' ' LEU . 0.0 OUTLIER -173.89 169.98 3.99 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.432 1.083 . . . . 0.0 110.27 -179.999 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -172.97 133.12 2.53 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.491 1.12 . . . . 0.0 111.008 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -40.3 135.47 1.44 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.544 0.791 . . . . 0.0 109.291 -179.984 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -132.84 24.59 3.82 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.512 1.133 . . . . 0.0 110.971 -179.974 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 23.9 p -109.38 146.48 34.36 Favored 'General case' 0 C--N 1.324 -0.514 0 N-CA-C 108.308 -0.997 . . . . 0.0 108.308 -179.977 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -100.97 138.42 38.03 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.548 1.155 . . . . 0.0 109.999 180.0 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 8.6 pt -110.45 145.43 16.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.512 1.132 . . . . 0.0 109.339 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 60.4 p -123.36 157.73 32.66 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.467 1.105 . . . . 0.0 109.986 -179.982 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 32.9 p -97.28 128.42 44.11 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.504 1.127 . . . . 0.0 110.013 179.964 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -78.59 167.46 53.02 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.507 1.129 . . . . 0.0 110.995 179.973 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 -170.0 0.71 Allowed 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.537 1.809 . . . . 0.0 111.016 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 0.8 OUTLIER -74.4 -30.49 26.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.526 1.141 . . . . 0.0 109.33 179.98 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 3.0 pt20 -78.15 -29.09 48.51 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.499 1.125 . . . . 0.0 110.288 -179.979 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . 0.468 ' N ' ' HD3' ' A' ' 41' ' ' PRO . 26.9 tttp -137.1 62.01 36.87 Favored Pre-proline 0 C--N 1.324 -0.511 0 O-C-N 124.529 1.143 . . . . 0.0 109.32 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 41' ' ' PRO . . . . . 0.468 ' HD3' ' N ' ' A' ' 40' ' ' LYS . 18.3 Cg_endo -74.91 145.71 32.15 Favored 'Trans proline' 0 C--N 1.361 1.188 0 O-C-N 124.467 1.772 . . . . 0.0 111.013 179.975 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 153.08 -155.79 26.34 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.496 1.122 . . . . 0.0 111.011 179.943 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 10.9 mm -129.14 118.69 47.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.559 0.8 . . . . 0.0 109.31 180.0 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 44' ' ' PHE . . . . . 0.566 ' CD2' ' HB2' ' A' ' 64' ' ' GLN . 1.8 m-85 -124.5 146.11 49.16 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.523 1.139 . . . . 0.0 111.011 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 45' ' ' ILE . . . . . 0.409 HG21 ' N ' ' A' ' 46' ' ' SER . 13.4 mt -74.64 137.57 22.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.52 1.137 . . . . 0.0 109.278 -179.987 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 46' ' ' SER . . . . . 0.409 ' N ' HG21 ' A' ' 45' ' ' ILE . 1.2 p -105.22 -36.91 7.08 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.507 1.129 . . . . 0.0 110.014 179.968 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 58.6 t-80 -153.94 153.17 31.54 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.52 1.138 . . . . 0.0 109.559 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 22.3 t -132.56 127.93 57.1 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.514 1.134 . . . . 0.0 109.274 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 12.8 mtpt -73.02 154.86 90.74 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.534 1.146 . . . . 0.0 109.263 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.94 123.21 7.75 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.5 1.789 . . . . 0.0 111.027 179.939 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 71.23 28.63 69.73 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.534 1.146 . . . . 0.0 110.99 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 87.1 p -83.58 -166.99 1.53 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.485 0.756 . . . . 0.0 110.029 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . 0.494 ' CD1' ' OE2' ' A' ' 56' ' ' GLU . 0.0 OUTLIER -77.96 -23.85 48.32 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.55 1.156 . . . . 0.0 109.299 179.987 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -94.23 -26.59 16.58 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.492 1.12 . . . . 0.0 110.013 179.979 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -75.01 -27.55 60.15 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.504 1.127 . . . . 0.0 109.277 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . 0.494 ' OE2' ' CD1' ' A' ' 53' ' ' LEU . 6.4 pt-20 -70.62 -36.77 73.65 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.468 1.105 . . . . 0.0 110.348 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 57' ' ' VAL . . . . . 0.426 ' N ' ' HG3' ' A' ' 56' ' ' GLU . 18.1 m -82.01 -23.59 9.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.528 1.142 . . . . 0.0 109.264 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 99.61 20.28 17.64 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.536 1.148 . . . . 0.0 111.018 -179.96 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . 0.466 ' CD2' HD11 ' A' ' 95' ' ' ILE . 13.7 mt -69.62 137.81 52.57 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.492 0.76 . . . . 0.0 109.274 179.991 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 24.7 mt-10 -133.66 173.13 11.85 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.474 1.109 . . . . 0.0 110.315 179.966 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 62.0 mt -59.6 133.96 24.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.54 1.15 . . . . 0.0 109.268 -179.967 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 62' ' ' GLY . . . . . 0.423 ' HA3' ' CG ' ' A' ' 101' ' ' ARG . . . 114.18 -34.08 5.12 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.512 1.133 . . . . 0.0 111.036 180.0 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 75.5 m-20 -56.44 97.39 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.518 0.776 . . . . 0.0 109.29 179.945 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 64' ' ' GLN . . . . . 0.566 ' HB2' ' CD2' ' A' ' 44' ' ' PHE . 42.6 tt0 -83.32 134.0 34.94 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.529 1.143 . . . . 0.0 110.325 179.97 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 65' ' ' ILE . . . . . 0.611 ' CG2' ' CG2' ' A' ' 68' ' ' VAL . 11.7 mt -87.73 110.27 20.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.552 1.157 . . . . 0.0 109.255 -179.955 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 17.9 m -99.72 -22.2 4.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.452 1.095 . . . . 0.0 109.291 179.974 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . 0.433 ' HG2' ' N ' ' A' ' 68' ' ' VAL . 30.8 tt0 -154.02 152.54 30.64 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.459 1.099 . . . . 0.0 110.293 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 68' ' ' VAL . . . . . 0.611 ' CG2' ' CG2' ' A' ' 65' ' ' ILE . 94.3 t -151.44 117.54 0.67 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.535 1.147 . . . . 0.0 109.298 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 1.2 t-20 56.41 20.86 5.04 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.544 1.153 . . . . 0.0 109.294 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 92.85 11.55 58.87 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.482 1.113 . . . . 0.0 111.047 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 71' ' ' VAL . . . . . 0.425 ' CG2' ' O ' ' A' ' 68' ' ' VAL . 54.6 t -87.37 154.34 3.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.491 0.759 . . . . 0.0 109.335 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 72' ' ' ASP . . . . . 0.421 ' N ' HG11 ' A' ' 71' ' ' VAL . 0.2 OUTLIER -89.9 91.1 8.46 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.517 1.136 . . . . 0.0 109.269 -179.983 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 73' ' ' PHE . . . . . 0.578 ' CE1' ' HB ' ' A' ' 68' ' ' VAL . 4.6 m-85 -94.84 12.29 28.6 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.509 1.13 . . . . 0.0 111.012 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -73.65 -25.46 60.29 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.535 1.147 . . . . 0.0 110.007 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 55.7 m-80 -142.22 50.9 1.49 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.526 1.141 . . . . 0.0 109.32 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 76' ' ' LEU . . . . . 0.574 HD11 ' CD1' ' A' ' 73' ' ' PHE . 6.2 mt -94.49 -166.65 1.52 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.503 1.127 . . . . 0.0 109.309 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 21.0 t70 -132.06 170.48 14.89 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.476 1.11 . . . . 0.0 109.32 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 78' ' ' HIS . . . . . . . . . . . . . 65.2 t-80 -71.99 -6.83 44.95 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.525 1.141 . . . . 0.0 109.623 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 8.1 mmtt -108.12 -36.03 6.42 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.5 1.125 . . . . 0.0 109.287 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 2.8 mm-40 -79.67 -38.75 32.9 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.528 1.142 . . . . 0.0 110.296 179.968 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -70.31 -25.12 63.17 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.477 1.111 . . . . 0.0 109.332 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 24.6 t -86.55 -40.09 13.9 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.466 1.104 . . . . 0.0 109.303 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 83' ' ' ASN . . . . . 0.472 ' HA ' ' CD ' ' A' ' 86' ' ' LYS . 12.1 t30 -64.91 -43.72 91.93 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.482 1.113 . . . . 0.0 109.256 -179.98 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 77.0 t -70.86 -27.78 31.49 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.544 1.152 . . . . 0.0 109.334 179.958 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 16.9 mt -80.97 -37.13 29.85 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.415 1.072 . . . . 0.0 109.302 179.978 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 86' ' ' LYS . . . . . 0.472 ' CD ' ' HA ' ' A' ' 83' ' ' ASN . 0.0 OUTLIER -89.46 -1.36 58.02 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.514 1.134 . . . . 0.0 109.281 -179.993 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -59.39 -65.77 0.62 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.543 1.152 . . . . 0.0 110.0 -179.978 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -119.48 172.16 7.84 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.528 1.142 . . . . 0.0 110.005 179.969 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 16.9 mmt180 -81.62 -60.47 2.24 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.567 1.167 . . . . 0.0 110.306 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -82.86 115.21 21.64 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.469 1.106 . . . . 0.0 110.024 179.969 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 91' ' ' LEU . . . . . 0.413 ' O ' ' CD1' ' A' ' 20' ' ' PHE . 1.2 mt -138.73 145.16 39.93 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.517 1.135 . . . . 0.0 109.316 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 92' ' ' THR . . . . . 0.598 ' OG1' ' CE2' ' A' ' 20' ' ' PHE . 31.9 m -101.5 100.98 11.49 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.512 1.133 . . . . 0.0 110.389 -179.972 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 93' ' ' ILE . . . . . 0.45 HD13 ' CG1' ' A' ' 21' ' ' ILE . 13.5 mt -89.51 135.01 27.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.462 1.101 . . . . 0.0 109.36 179.977 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -113.82 99.05 7.4 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.475 1.109 . . . . 0.0 110.019 -179.972 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 95' ' ' ILE . . . . . 0.466 HD11 ' CD2' ' A' ' 59' ' ' LEU . 1.3 pt -100.4 169.77 1.62 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.509 1.13 . . . . 0.0 109.283 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 96' ' ' VAL . . . . . 0.483 ' O ' ' CG1' ' A' ' 96' ' ' VAL . 78.3 t -109.7 32.74 0.91 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.521 1.138 . . . . 0.0 109.303 179.98 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . 45.21 93.79 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.482 1.114 . . . . 0.0 109.311 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 98' ' ' ALA . . . . . 0.476 ' CB ' ' HG3' ' A' ' 101' ' ' ARG . . . 49.55 56.79 7.31 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.52 1.138 . . . . 0.0 109.286 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 99' ' ' ALA . . . . . 0.441 ' CB ' ' HB ' ' A' ' 96' ' ' VAL . . . -60.34 -69.85 0.2 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.519 1.137 . . . . 0.0 109.33 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . -101.52 57.91 0.66 Allowed Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.502 1.126 . . . . 0.0 110.987 179.972 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 101' ' ' ARG . . . . . 0.476 ' HG3' ' CB ' ' A' ' 98' ' ' ALA . 0.0 OUTLIER -70.0 -25.48 63.62 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.484 0.755 . . . . 0.0 110.269 -179.995 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -70.33 -21.53 62.9 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.488 1.118 . . . . 0.0 110.329 179.965 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 103' ' ' LEU . . . . . 0.543 HD13 ' CE2' ' A' ' 44' ' ' PHE . 60.5 mt -61.22 -21.36 63.79 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.48 1.112 . . . . 0.0 109.338 -179.983 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 104' ' ' PHE . . . . . . . . . . . . . 78.4 m-85 -119.43 59.28 0.86 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.461 1.1 . . . . 0.0 110.987 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 105' ' ' MET . . . . . . . . . . . . . 0.9 OUTLIER -95.61 82.84 3.67 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.451 1.094 . . . . 0.0 111.031 179.966 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 48.7 m -155.71 121.64 5.05 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.472 1.108 . . . . 0.0 110.417 -179.975 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 17.2 p-10 -69.3 169.66 11.8 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.561 1.163 . . . . 0.0 109.318 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 6.7 ptm180 -123.73 157.29 34.28 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.477 1.11 . . . . 0.0 110.257 -179.959 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 4.3 t -119.67 -58.19 1.92 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.481 1.113 . . . . 0.0 110.022 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 137.04 88.49 0.22 Allowed Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.446 1.091 . . . . 0.0 110.997 179.977 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 111' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 -48.32 0.18 Allowed 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.522 1.801 . . . . 0.0 111.04 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -100.87 129.34 46.72 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.513 1.133 . . . . 0.0 109.991 179.975 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -124.7 140.04 53.3 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.452 1.095 . . . . 0.0 110.019 179.975 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.972 0 O-C-N 124.468 1.105 . . . . 0.0 111.021 179.985 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.05 0 N-CA-C 110.984 -0.846 . . . . 0.0 110.984 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -175.23 161.51 2.83 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.541 0.789 . . . . 0.0 110.033 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -168.75 159.48 9.82 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.46 1.1 . . . . 0.0 110.049 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 70.51 -163.18 53.27 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.488 1.118 . . . . 0.0 111.0 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 48.71 80.07 0.07 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.476 0.751 . . . . 0.0 109.99 -179.984 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -111.8 -25.43 9.47 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.519 1.137 . . . . 0.0 110.05 179.956 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 76.36 126.25 0.24 Allowed Glycine 0 CA--C 1.53 0.969 0 O-C-N 124.523 1.14 . . . . 0.0 111.005 -179.966 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -104.96 147.29 34.23 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.459 0.74 . . . . 0.0 109.978 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.05 148.53 35.21 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.506 1.793 . . . . 0.0 111.009 -179.966 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -140.95 47.24 0.87 Allowed Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.51 1.131 . . . . 0.0 110.962 -179.942 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 21.8 t-20 -173.2 138.16 0.72 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.474 0.749 . . . . 0.0 109.301 179.976 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -176.05 146.66 0.7 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.537 1.148 . . . . 0.0 110.335 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 3.1 mt-10 -161.34 151.81 17.76 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.523 1.139 . . . . 0.0 110.317 -180.0 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 10.9 m120 -97.72 -56.88 2.38 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.495 1.122 . . . . 0.0 109.294 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 3.5 mppt? -80.52 170.97 15.64 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.494 1.121 . . . . 0.0 109.293 -179.982 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 17.6 mt-10 48.5 90.91 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.529 1.143 . . . . 0.0 110.298 -179.966 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -115.01 143.7 44.77 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.432 1.082 . . . . 0.0 109.276 -179.99 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -90.21 123.39 33.98 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.499 1.125 . . . . 0.0 109.254 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 2.4 m -126.56 127.74 70.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.545 1.153 . . . . 0.0 109.3 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' PHE . . . . . 0.455 ' CD1' ' O ' ' A' ' 91' ' ' LEU . 0.1 OUTLIER -105.58 117.79 34.92 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.507 1.129 . . . . 0.0 111.011 -179.969 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' ILE . . . . . 0.408 ' CG1' HD11 ' A' ' 93' ' ' ILE . 11.8 mm -107.86 108.09 24.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.5 1.125 . . . . 0.0 109.275 -179.966 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 26.2 t -104.45 118.69 37.23 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.509 1.13 . . . . 0.0 110.008 179.966 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . 0.458 ' CD1' ' HA2' ' A' ' 28' ' ' GLY . 3.3 mm? -80.04 78.48 6.67 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.528 1.142 . . . . 0.0 109.319 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 3.0 m -136.74 162.49 34.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.466 1.104 . . . . 0.0 109.283 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 63.92 -153.59 47.46 Favored Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.51 1.131 . . . . 0.0 110.982 179.946 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 10.2 m -82.95 51.0 1.83 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.498 0.764 . . . . 0.0 110.012 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 14.9 mmt-85 -138.22 138.26 38.34 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.56 1.163 . . . . 0.0 110.28 -179.979 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . 0.458 ' HA2' ' CD1' ' A' ' 23' ' ' LEU . . . -150.15 38.93 0.89 Allowed Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.495 1.122 . . . . 0.0 111.013 179.967 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER 62.2 109.78 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.513 0.772 . . . . 0.0 109.319 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -106.87 10.15 40.71 Favored Glycine 0 CA--C 1.529 0.939 0 O-C-N 124.524 1.14 . . . . 0.0 111.022 179.96 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 31' ' ' CYS . . . . . 0.401 ' SG ' ' OG ' ' A' ' 54' ' ' SER . 29.7 p -102.93 148.12 26.07 Favored 'General case' 0 C--N 1.325 -0.468 0 N-CA-C 108.289 -1.004 . . . . 0.0 108.289 -179.964 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -104.34 139.21 39.64 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.483 1.115 . . . . 0.0 110.02 -179.961 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 33' ' ' ILE . . . . . 0.47 HD13 ' CG2' ' A' ' 82' ' ' VAL . 13.9 pt -107.43 147.12 12.83 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.504 1.127 . . . . 0.0 109.288 -179.983 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 51.8 m -139.19 145.55 39.44 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.483 1.114 . . . . 0.0 109.998 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 72.4 m -88.95 137.89 31.91 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.537 1.148 . . . . 0.0 109.981 -179.961 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -77.97 178.35 52.45 Favored Glycine 0 CA--C 1.529 0.953 0 O-C-N 124.494 1.121 . . . . 0.0 111.048 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 -170.85 0.84 Allowed 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.463 1.77 . . . . 0.0 111.031 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 5.1 tt -73.9 -29.87 26.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.521 1.138 . . . . 0.0 109.272 -179.979 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 16.5 pt20 -77.83 -30.94 51.31 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.468 1.105 . . . . 0.0 110.26 -179.951 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . 0.462 ' N ' ' HD3' ' A' ' 41' ' ' PRO . 0.5 OUTLIER -136.64 62.01 39.76 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.557 1.161 . . . . 0.0 109.255 -179.964 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 41' ' ' PRO . . . . . 0.462 ' HD3' ' N ' ' A' ' 40' ' ' LYS . 18.4 Cg_endo -74.98 146.47 32.79 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.509 1.794 . . . . 0.0 111.025 179.954 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 156.09 -165.9 32.89 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.516 1.135 . . . . 0.0 110.992 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 23.5 mm -117.29 111.5 35.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.511 0.771 . . . . 0.0 109.327 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 44' ' ' PHE . . . . . 0.578 ' CD2' ' HB2' ' A' ' 64' ' ' GLN . 1.5 m-85 -124.15 140.05 53.34 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.511 1.132 . . . . 0.0 111.016 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 45' ' ' ILE . . . . . 0.409 HG23 ' N ' ' A' ' 46' ' ' SER . 12.3 mt -67.32 138.11 23.44 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.529 1.143 . . . . 0.0 109.316 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 46' ' ' SER . . . . . 0.409 ' N ' HG23 ' A' ' 45' ' ' ILE . 1.0 OUTLIER -100.58 -37.42 8.79 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.483 1.114 . . . . 0.0 109.96 -179.956 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 65.3 t-80 -150.91 164.11 37.09 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.501 1.126 . . . . 0.0 109.571 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 84.0 t -145.38 118.3 2.44 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.486 1.116 . . . . 0.0 109.306 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 12.2 mttt -67.59 156.31 89.12 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.538 1.149 . . . . 0.0 109.342 179.955 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.01 127.41 10.66 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.463 1.77 . . . . 0.0 111.011 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 65.23 19.3 66.08 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.52 1.138 . . . . 0.0 110.974 -179.982 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 18.1 p -65.89 -159.28 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.485 0.756 . . . . 0.0 109.99 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . 0.499 ' O ' ' CG ' ' A' ' 56' ' ' GLU . 12.2 tp -87.26 -24.31 24.41 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.564 1.165 . . . . 0.0 109.308 179.959 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 54' ' ' SER . . . . . 0.401 ' OG ' ' SG ' ' A' ' 31' ' ' CYS . 0.0 OUTLIER -95.15 -29.77 14.38 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.492 1.12 . . . . 0.0 109.98 -179.989 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -71.78 -17.35 62.18 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.508 1.13 . . . . 0.0 109.278 -179.977 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . 0.499 ' CG ' ' O ' ' A' ' 53' ' ' LEU . 1.9 pt-20 -80.06 -34.21 38.33 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.524 1.14 . . . . 0.0 110.322 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 57' ' ' VAL . . . . . 0.47 ' CG2' ' HG ' ' A' ' 59' ' ' LEU . 18.9 m -81.31 -22.11 10.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.497 1.123 . . . . 0.0 109.332 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 104.62 20.65 9.88 Favored Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.479 1.112 . . . . 0.0 111.066 -179.937 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . 0.471 ' CD2' ' OD2' ' A' ' 63' ' ' ASP . 20.7 mt -71.71 144.58 49.26 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.453 0.737 . . . . 0.0 109.315 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 36.1 mt-10 -140.22 173.16 11.79 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.523 1.139 . . . . 0.0 110.298 179.982 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 15.8 mt -64.01 125.84 21.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.499 1.125 . . . . 0.0 109.301 -179.946 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 62' ' ' GLY . . . . . 0.44 ' O ' ' N ' ' A' ' 64' ' ' GLN . . . 120.03 -38.58 2.72 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.489 1.118 . . . . 0.0 110.988 179.974 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . 0.471 ' OD2' ' CD2' ' A' ' 59' ' ' LEU . 73.2 m-20 -43.99 96.94 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.47 0.747 . . . . 0.0 109.331 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 64' ' ' GLN . . . . . 0.578 ' HB2' ' CD2' ' A' ' 44' ' ' PHE . 49.0 tt0 -83.25 120.36 25.72 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.489 1.118 . . . . 0.0 110.289 -179.968 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 65' ' ' ILE . . . . . 0.6 ' CG2' ' CG2' ' A' ' 68' ' ' VAL . 38.9 mt -74.51 107.95 5.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.544 1.152 . . . . 0.0 109.301 179.974 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 15.7 m -96.46 -24.64 4.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.493 1.121 . . . . 0.0 109.296 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . 0.407 ' HG2' ' N ' ' A' ' 68' ' ' VAL . 30.4 tt0 -151.47 154.96 37.59 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.538 1.149 . . . . 0.0 110.243 -179.986 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 68' ' ' VAL . . . . . 0.6 ' CG2' ' CG2' ' A' ' 65' ' ' ILE . 95.7 t -152.28 124.29 1.08 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.478 1.111 . . . . 0.0 109.308 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 1.1 t-20 45.78 34.8 1.95 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.521 1.138 . . . . 0.0 109.332 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 75.23 34.61 50.98 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.529 1.143 . . . . 0.0 110.986 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 71' ' ' VAL . . . . . 0.502 ' CG2' ' O ' ' A' ' 68' ' ' VAL . 58.9 t -111.0 147.45 15.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.52 0.777 . . . . 0.0 109.292 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 1.7 t0 -81.88 86.99 6.41 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.539 1.149 . . . . 0.0 109.307 179.976 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 73' ' ' PHE . . . . . 0.597 ' CE1' ' HB ' ' A' ' 68' ' ' VAL . 3.8 m-85 -92.3 18.88 7.66 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.471 1.107 . . . . 0.0 111.006 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -73.78 -42.02 61.6 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.511 1.132 . . . . 0.0 109.99 -179.971 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -129.53 50.83 2.12 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.535 1.147 . . . . 0.0 109.258 -179.99 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 76' ' ' LEU . . . . . 0.589 ' CD1' ' CD1' ' A' ' 73' ' ' PHE . 5.9 mt -89.56 -166.3 1.56 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.522 1.139 . . . . 0.0 109.302 179.967 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 33.9 t70 -131.47 169.58 15.87 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.528 1.143 . . . . 0.0 109.278 -179.984 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 78' ' ' HIS . . . . . . . . . . . . . 58.8 t-80 -70.98 -7.02 43.2 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.464 1.102 . . . . 0.0 109.625 179.966 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -108.89 -37.53 5.83 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.498 1.124 . . . . 0.0 109.291 179.97 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 2.3 mt-10 -77.1 -37.9 53.34 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.529 1.143 . . . . 0.0 110.291 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -69.9 -27.7 65.01 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.496 1.123 . . . . 0.0 109.278 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 82' ' ' VAL . . . . . 0.47 ' CG2' HD13 ' A' ' 33' ' ' ILE . 45.4 t -88.1 -36.83 9.83 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.494 1.121 . . . . 0.0 109.301 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 41.2 t30 -64.71 -40.47 95.41 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.532 1.145 . . . . 0.0 109.334 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 77.9 t -74.47 -32.83 31.33 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.497 1.123 . . . . 0.0 109.312 179.968 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 18.7 mt -75.29 -38.03 60.56 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.44 1.087 . . . . 0.0 109.282 -179.977 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 86' ' ' LYS . . . . . 0.423 ' CE ' HG11 ' A' ' 82' ' ' VAL . 1.8 ptpt -86.06 -2.61 58.48 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.479 1.112 . . . . 0.0 109.301 -179.977 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 38.4 t -53.75 -68.48 0.17 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.478 1.111 . . . . 0.0 110.007 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -117.04 -173.51 2.41 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.537 1.148 . . . . 0.0 110.031 179.986 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 13.1 mmt85 -90.84 -53.38 4.42 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.491 1.119 . . . . 0.0 110.299 -179.965 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -88.84 113.56 24.51 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.471 1.107 . . . . 0.0 109.994 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 91' ' ' LEU . . . . . 0.455 ' O ' ' CD1' ' A' ' 20' ' ' PHE . 1.0 OUTLIER -134.02 147.54 50.97 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.527 1.142 . . . . 0.0 109.307 179.996 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 15.9 m -106.96 101.03 10.49 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.499 1.125 . . . . 0.0 110.358 -179.971 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 93' ' ' ILE . . . . . 0.408 HD11 ' CG1' ' A' ' 21' ' ' ILE . 14.0 mt -89.51 135.13 26.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.459 1.1 . . . . 0.0 109.333 179.963 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -112.95 101.23 9.29 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.525 1.141 . . . . 0.0 110.035 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 1.1 pt -100.5 169.32 1.7 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.527 0 O-C-N 124.491 1.12 . . . . 0.0 109.293 -179.985 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 96' ' ' VAL . . . . . 0.508 ' O ' ' CG1' ' A' ' 96' ' ' VAL . 70.5 t -114.05 34.88 0.96 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.505 1.128 . . . . 0.0 109.319 179.974 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 97' ' ' ALA . . . . . 0.406 ' O ' ' O ' ' A' ' 96' ' ' VAL . . . 46.76 94.84 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.552 1.157 . . . . 0.0 109.274 -179.98 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . 43.39 59.67 2.9 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.485 1.115 . . . . 0.0 109.279 179.944 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -61.41 -65.47 0.69 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.523 1.139 . . . . 0.0 109.32 179.961 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . -108.93 59.82 0.34 Allowed Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.517 1.136 . . . . 0.0 111.021 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -74.76 -17.36 60.65 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.45 0.735 . . . . 0.0 110.303 179.986 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 9.4 pt-20 -68.62 -34.46 75.8 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.477 1.111 . . . . 0.0 110.313 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 103' ' ' LEU . . . . . 0.408 HD13 ' CE2' ' A' ' 44' ' ' PHE . 81.3 mt -45.63 -38.27 6.48 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.488 1.118 . . . . 0.0 109.281 -179.988 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 104' ' ' PHE . . . . . . . . . . . . . 16.7 m-85 -106.66 52.23 0.72 Allowed 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.525 1.141 . . . . 0.0 110.96 -179.968 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 105' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -59.77 131.99 52.6 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.488 1.117 . . . . 0.0 110.997 179.977 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 2.5 t -52.64 149.77 5.72 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.516 1.135 . . . . 0.0 110.409 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER 167.28 154.52 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.512 1.133 . . . . 0.0 109.302 -179.986 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 12.0 ttt-85 -51.36 127.79 20.7 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.506 1.129 . . . . 0.0 110.327 179.974 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -154.26 -169.28 3.19 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.493 1.12 . . . . 0.0 109.974 -179.974 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 56.78 78.98 0.1 Allowed Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.476 1.11 . . . . 0.0 110.994 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 111' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 86.46 1.42 Allowed 'Trans proline' 0 C--N 1.361 1.187 0 O-C-N 124.467 1.772 . . . . 0.0 110.999 -179.978 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 31.1 t -92.46 -63.65 1.2 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.549 1.156 . . . . 0.0 109.998 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -110.05 156.9 19.91 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.461 1.101 . . . . 0.0 110.048 179.98 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.018 0 O-C-N 124.553 1.158 . . . . 0.0 110.987 -179.99 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.985 0 N-CA-C 111.014 -0.835 . . . . 0.0 111.014 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 33.8 p -152.49 124.38 7.96 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.474 0.749 . . . . 0.0 110.002 -179.982 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 13.2 t -179.92 149.33 0.34 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.495 1.122 . . . . 0.0 109.962 -179.975 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -139.38 93.5 0.2 Allowed Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.474 1.108 . . . . 0.0 110.975 179.961 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -178.71 112.48 0.06 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.498 0.763 . . . . 0.0 109.991 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 9.6 t -117.27 27.85 8.84 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.479 1.112 . . . . 0.0 110.035 179.977 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 55.21 -174.16 0.89 Allowed Glycine 0 CA--C 1.529 0.96 0 O-C-N 124.513 1.133 . . . . 0.0 111.053 -179.954 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 88.7 p -136.26 106.08 9.41 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.517 0.775 . . . . 0.0 110.019 179.976 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.04 156.11 42.77 Favored 'Trans proline' 0 C--N 1.36 1.183 0 O-C-N 124.424 1.749 . . . . 0.0 110.978 -179.96 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 114.06 131.71 5.31 Favored Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.503 1.127 . . . . 0.0 111.0 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 2.4 t30 177.21 151.82 0.2 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.573 0.808 . . . . 0.0 109.263 -179.961 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 28.3 mtt180 -152.34 130.93 12.26 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.41 1.069 . . . . 0.0 110.28 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 2.0 tp10 -132.79 172.68 12.25 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.479 1.112 . . . . 0.0 110.324 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 2.9 m-20 -179.66 -55.92 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.491 1.119 . . . . 0.0 109.275 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -94.49 170.78 9.23 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.47 1.106 . . . . 0.0 109.315 179.97 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 22.3 mt-10 43.21 89.66 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.551 1.157 . . . . 0.0 110.338 -179.941 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -113.58 140.89 47.8 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.523 1.139 . . . . 0.0 109.31 -179.978 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . 0.463 ' HD3' ' CG2' ' A' ' 92' ' ' THR . 6.0 ttmm -91.49 123.15 34.69 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.486 1.116 . . . . 0.0 109.276 -179.97 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -121.64 117.02 51.22 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.45 1.094 . . . . 0.0 109.317 179.962 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -94.26 115.27 27.5 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.523 1.14 . . . . 0.0 111.024 -179.973 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' ILE . . . . . 0.458 ' CG1' HD13 ' A' ' 93' ' ' ILE . 18.2 mm -109.03 110.5 32.33 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 O-C-N 124.491 1.12 . . . . 0.0 109.343 179.984 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 10.7 p -111.92 121.1 44.11 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.448 1.093 . . . . 0.0 109.965 -179.963 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 2.6 mm? -83.22 54.67 2.86 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.549 1.156 . . . . 0.0 109.302 179.979 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 14.8 m -128.56 167.03 24.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.458 1.099 . . . . 0.0 109.326 -179.963 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 63.52 52.67 44.49 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.487 1.117 . . . . 0.0 111.011 179.973 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 78.5 p 43.7 67.15 0.7 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.506 0.768 . . . . 0.0 110.018 -179.954 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 5.1 mtt180 -145.29 127.3 15.53 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.469 1.106 . . . . 0.0 110.31 -179.973 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -126.7 130.92 7.14 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.509 1.131 . . . . 0.0 111.016 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 2.6 tp -41.41 146.22 0.22 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.51 0.771 . . . . 0.0 109.32 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -138.24 28.44 2.69 Favored Glycine 0 CA--C 1.529 0.933 0 O-C-N 124.53 1.144 . . . . 0.0 111.015 179.986 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 11.2 p -121.48 140.45 52.17 Favored 'General case' 0 C--N 1.325 -0.458 0 N-CA-C 108.341 -0.985 . . . . 0.0 108.341 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -94.97 141.87 28.14 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.533 1.146 . . . . 0.0 109.979 -179.972 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 8.2 pt -117.4 145.57 23.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.512 1.133 . . . . 0.0 109.308 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -130.88 169.57 15.59 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.51 1.131 . . . . 0.0 110.002 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 11.4 p -106.56 125.94 51.63 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.502 1.126 . . . . 0.0 110.001 179.982 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -70.79 172.13 43.68 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.492 1.12 . . . . 0.0 111.002 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.06 -172.43 1.26 Allowed 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.488 1.783 . . . . 0.0 111.008 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 0.7 OUTLIER -72.45 -30.02 33.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.456 1.098 . . . . 0.0 109.33 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 13.3 pt20 -77.83 -30.61 51.16 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.549 1.156 . . . . 0.0 110.337 179.95 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . 0.467 ' N ' ' HD3' ' A' ' 41' ' ' PRO . 5.3 tttt -136.62 61.82 38.91 Favored Pre-proline 0 C--N 1.324 -0.516 0 O-C-N 124.481 1.113 . . . . 0.0 109.291 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 41' ' ' PRO . . . . . 0.467 ' HD3' ' N ' ' A' ' 40' ' ' LYS . 18.0 Cg_endo -75.04 145.83 31.77 Favored 'Trans proline' 0 C--N 1.361 1.198 0 O-C-N 124.452 1.764 . . . . 0.0 110.949 -179.959 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 154.78 -158.32 28.21 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.511 1.132 . . . . 0.0 111.005 -179.987 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 12.2 mm -123.44 108.47 21.1 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 O-C-N 124.46 0.741 . . . . 0.0 109.276 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 44' ' ' PHE . . . . . 0.565 ' CD2' ' HB2' ' A' ' 64' ' ' GLN . 3.2 m-85 -118.36 139.33 51.53 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.534 1.146 . . . . 0.0 111.003 179.977 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 45' ' ' ILE . . . . . 0.52 ' O ' ' CZ ' ' A' ' 104' ' ' PHE . 19.9 mt -67.51 141.49 17.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.467 1.104 . . . . 0.0 109.3 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 46' ' ' SER . . . . . 0.473 ' HA ' ' CE2' ' A' ' 104' ' ' PHE . 0.7 OUTLIER -105.49 -37.19 6.89 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.544 1.153 . . . . 0.0 109.999 179.998 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 47' ' ' HIS . . . . . 0.417 ' ND1' ' N ' ' A' ' 48' ' ' VAL . 56.4 t-80 -152.87 165.38 35.62 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.478 1.111 . . . . 0.0 109.583 179.96 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 48' ' ' VAL . . . . . 0.417 ' N ' ' ND1' ' A' ' 47' ' ' HIS . 80.8 t -145.79 125.56 6.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.49 1.118 . . . . 0.0 109.324 179.993 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 25.2 mttt -71.82 156.01 91.54 Favored Pre-proline 0 C--N 1.324 -0.508 0 O-C-N 124.546 1.154 . . . . 0.0 109.294 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 128.6 11.61 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.533 1.807 . . . . 0.0 111.042 179.955 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 66.98 13.37 61.65 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.505 1.128 . . . . 0.0 111.052 -179.927 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 76.8 p -58.26 -164.39 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.523 0.778 . . . . 0.0 109.977 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . 0.414 HD23 ' CG2' ' A' ' 21' ' ' ILE . 48.9 tp -89.66 -17.52 28.22 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.471 1.107 . . . . 0.0 109.307 -179.978 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 54' ' ' SER . . . . . 0.468 ' O ' ' CG2' ' A' ' 57' ' ' VAL . 0.0 OUTLIER -95.02 -38.77 10.49 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.465 1.103 . . . . 0.0 109.991 179.989 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -62.75 -30.31 71.34 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.531 1.144 . . . . 0.0 109.325 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . 0.426 ' HG3' ' N ' ' A' ' 57' ' ' VAL . 2.4 pt-20 -65.62 -33.27 75.5 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.546 1.154 . . . . 0.0 110.347 179.976 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 57' ' ' VAL . . . . . 0.468 ' CG2' ' O ' ' A' ' 54' ' ' SER . 8.0 m -84.38 -21.03 8.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.517 1.136 . . . . 0.0 109.28 179.971 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 105.37 20.55 9.53 Favored Glycine 0 CA--C 1.529 0.964 0 O-C-N 124.554 1.159 . . . . 0.0 111.014 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . 0.453 ' CD2' ' OD2' ' A' ' 63' ' ' ASP . 11.2 mt -71.89 139.17 48.67 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.503 0.766 . . . . 0.0 109.297 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 51.1 mt-10 -145.23 172.99 12.33 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.494 1.121 . . . . 0.0 110.298 -179.974 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 30.2 mt -61.75 129.59 24.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.472 1.108 . . . . 0.0 109.282 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 113.54 -29.04 8.14 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.478 1.111 . . . . 0.0 110.977 179.957 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . 0.453 ' OD2' ' CD2' ' A' ' 59' ' ' LEU . 9.0 m-20 -60.25 97.36 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.486 0.756 . . . . 0.0 109.274 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 64' ' ' GLN . . . . . 0.565 ' HB2' ' CD2' ' A' ' 44' ' ' PHE . 46.5 tt0 -83.19 131.3 35.12 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.446 1.091 . . . . 0.0 110.304 179.967 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 65' ' ' ILE . . . . . 0.58 ' CG2' ' CG2' ' A' ' 68' ' ' VAL . 59.8 mt -80.76 109.43 15.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.503 1.127 . . . . 0.0 109.315 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 12.7 m -98.15 -23.71 4.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.52 1.138 . . . . 0.0 109.294 -179.963 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . 0.42 ' HG2' ' N ' ' A' ' 68' ' ' VAL . 32.3 tt0 -153.52 153.45 32.45 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.465 1.103 . . . . 0.0 110.262 -179.963 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 68' ' ' VAL . . . . . 0.58 ' CG2' ' CG2' ' A' ' 65' ' ' ILE . 67.3 t -151.88 117.48 0.63 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.519 1.137 . . . . 0.0 109.314 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 2.0 t-20 57.15 18.29 4.04 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.525 1.141 . . . . 0.0 109.335 -179.955 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 95.81 5.12 60.05 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.497 1.123 . . . . 0.0 110.962 179.977 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 71' ' ' VAL . . . . . 0.404 HG12 ' N ' ' A' ' 72' ' ' ASP . 59.0 t -83.46 143.25 12.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.469 0.746 . . . . 0.0 109.348 179.952 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 72' ' ' ASP . . . . . 0.404 ' N ' HG12 ' A' ' 71' ' ' VAL . 2.2 t70 -80.43 87.9 5.63 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.512 1.133 . . . . 0.0 109.341 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 73' ' ' PHE . . . . . 0.583 ' CD1' ' CD1' ' A' ' 76' ' ' LEU . 2.9 m-85 -86.14 41.21 0.91 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.525 1.14 . . . . 0.0 111.021 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 3.3 t -82.84 -72.15 0.46 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.502 1.126 . . . . 0.0 109.957 -179.981 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 3.3 m-80 -103.95 47.11 0.89 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.469 1.106 . . . . 0.0 109.292 -179.976 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 76' ' ' LEU . . . . . 0.583 ' CD1' ' CD1' ' A' ' 73' ' ' PHE . 6.7 mt -80.44 -167.21 1.26 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.463 1.102 . . . . 0.0 109.299 179.968 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 31.9 t70 -134.68 170.87 15.17 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.494 1.121 . . . . 0.0 109.34 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 78' ' ' HIS . . . . . . . . . . . . . 60.2 t-80 -72.31 -5.54 36.88 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.507 1.129 . . . . 0.0 109.621 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 5.5 mttt -109.41 -36.39 6.01 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.489 1.118 . . . . 0.0 109.298 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 1.8 mm-40 -77.54 -36.83 51.92 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.482 1.114 . . . . 0.0 110.271 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -73.07 -29.71 63.15 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.474 1.109 . . . . 0.0 109.277 -179.986 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 82' ' ' VAL . . . . . 0.482 ' O ' ' N ' ' A' ' 86' ' ' LYS . 3.0 t -81.38 -46.75 20.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.446 1.091 . . . . 0.0 109.324 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 18.3 t30 -57.85 -41.18 81.83 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.494 1.121 . . . . 0.0 109.303 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 69.9 t -72.99 -31.0 33.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.49 1.119 . . . . 0.0 109.267 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 21.6 mt -77.17 -31.18 55.3 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.525 1.14 . . . . 0.0 109.266 -179.975 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 86' ' ' LYS . . . . . 0.482 ' N ' ' O ' ' A' ' 82' ' ' VAL . 8.3 ptpt -95.51 -2.59 48.28 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.487 1.117 . . . . 0.0 109.331 -179.976 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -53.56 -62.52 1.6 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.449 1.093 . . . . 0.0 109.984 -179.982 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 2.3 t -122.8 -178.67 4.0 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.536 1.147 . . . . 0.0 110.021 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 9.5 mmt180 -85.47 -56.33 3.57 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.547 1.155 . . . . 0.0 110.322 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -85.94 119.01 25.78 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.48 1.113 . . . . 0.0 109.984 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -136.63 148.95 47.72 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.533 1.145 . . . . 0.0 109.325 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 92' ' ' THR . . . . . 0.463 ' CG2' ' HD3' ' A' ' 18' ' ' LYS . 9.7 m -109.87 100.46 9.43 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.492 1.12 . . . . 0.0 110.394 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 93' ' ' ILE . . . . . 0.458 HD13 ' CG1' ' A' ' 21' ' ' ILE . 12.0 mt -89.19 137.9 20.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.467 1.104 . . . . 0.0 109.276 -179.981 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -119.75 101.06 7.63 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.497 1.123 . . . . 0.0 109.991 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 1.1 pt -100.27 169.82 1.6 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.5 1.125 . . . . 0.0 109.296 -179.979 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 96' ' ' VAL . . . . . 0.493 ' O ' ' CG1' ' A' ' 96' ' ' VAL . 73.4 t -109.11 31.81 0.99 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.481 1.113 . . . . 0.0 109.36 179.974 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 97' ' ' ALA . . . . . 0.411 ' O ' ' O ' ' A' ' 96' ' ' VAL . . . 44.97 94.26 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.493 1.121 . . . . 0.0 109.308 -179.978 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 98' ' ' ALA . . . . . 0.48 ' CB ' ' HG3' ' A' ' 101' ' ' ARG . . . 50.94 56.53 7.86 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.506 1.129 . . . . 0.0 109.324 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 99' ' ' ALA . . . . . 0.402 ' CB ' ' HB ' ' A' ' 96' ' ' VAL . . . -59.99 -75.46 0.06 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.467 1.104 . . . . 0.0 109.34 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . -96.39 55.93 1.46 Allowed Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.509 1.131 . . . . 0.0 111.023 179.944 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 101' ' ' ARG . . . . . 0.48 ' HG3' ' CB ' ' A' ' 98' ' ' ALA . 0.0 OUTLIER -65.7 -19.97 66.11 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.509 0.77 . . . . 0.0 110.31 179.997 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 1.8 pt-20 -75.9 -6.44 50.88 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.496 1.123 . . . . 0.0 110.307 179.959 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 103' ' ' LEU . . . . . 0.405 HD12 ' CD2' ' A' ' 44' ' ' PHE . 76.8 mt -82.44 -11.86 58.24 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.433 1.083 . . . . 0.0 109.304 -179.972 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 104' ' ' PHE . . . . . 0.52 ' CZ ' ' O ' ' A' ' 45' ' ' ILE . 21.1 m-85 -133.9 59.05 1.75 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.53 1.144 . . . . 0.0 110.972 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 105' ' ' MET . . . . . . . . . . . . . 5.8 mtt -124.81 84.4 2.28 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.493 1.121 . . . . 0.0 111.024 179.974 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 1.3 m -136.76 121.7 18.85 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.53 1.144 . . . . 0.0 110.365 -179.986 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -111.82 111.23 22.03 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.514 1.134 . . . . 0.0 109.329 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -152.44 144.05 23.49 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.506 1.129 . . . . 0.0 110.284 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 51.9 p -97.81 169.43 9.67 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.466 1.104 . . . . 0.0 109.985 -179.986 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . -172.7 76.98 0.09 OUTLIER Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.465 1.103 . . . . 0.0 111.022 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 111' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 156.39 43.03 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.527 1.804 . . . . 0.0 110.995 -179.977 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 44.6 m -162.34 153.28 17.54 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.468 1.105 . . . . 0.0 110.0 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -76.97 160.75 28.91 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.463 1.102 . . . . 0.0 109.988 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.986 0 O-C-N 124.543 1.152 . . . . 0.0 110.993 -179.998 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.966 0 N-CA-C 111.006 -0.838 . . . . 0.0 111.006 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 18.5 m -168.11 108.12 0.54 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.481 0.753 . . . . 0.0 109.997 -179.968 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -155.65 157.57 36.91 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.495 1.122 . . . . 0.0 110.008 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 115.92 125.02 3.78 Favored Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.567 1.167 . . . . 0.0 110.98 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 94.5 p -143.05 110.41 5.74 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.509 0.77 . . . . 0.0 109.999 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -102.57 -24.3 13.8 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.571 1.169 . . . . 0.0 110.005 179.969 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 109.25 175.31 21.31 Favored Glycine 0 CA--C 1.529 0.96 0 O-C-N 124.486 1.116 . . . . 0.0 110.969 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -118.01 106.07 46.12 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.455 0.738 . . . . 0.0 109.986 -179.958 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 117.37 4.89 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.47 1.774 . . . . 0.0 111.001 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 92.37 -165.38 28.77 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.509 1.13 . . . . 0.0 111.036 -179.983 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -152.91 -55.37 0.12 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.512 0.772 . . . . 0.0 109.26 179.972 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 1.5 mtm180 -150.36 132.47 15.32 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.446 1.092 . . . . 0.0 110.354 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 65.0 mt-10 -147.71 150.15 33.77 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.505 1.128 . . . . 0.0 110.3 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER 173.6 -59.49 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.483 1.114 . . . . 0.0 109.296 -179.978 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -84.4 170.49 13.52 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.485 1.116 . . . . 0.0 109.255 -179.971 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 20.1 mt-10 40.47 88.63 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.511 1.132 . . . . 0.0 110.264 179.962 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -111.21 144.12 40.88 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.482 1.113 . . . . 0.0 109.291 179.968 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . 0.407 ' HD3' ' CG2' ' A' ' 92' ' ' THR . 1.7 ttmm -97.85 119.52 36.6 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.498 1.124 . . . . 0.0 109.299 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 2.0 m -120.0 120.44 63.12 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.479 1.112 . . . . 0.0 109.319 179.966 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' PHE . . . . . 0.426 ' CD1' ' O ' ' A' ' 91' ' ' LEU . 0.1 OUTLIER -97.83 114.53 26.6 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.53 1.143 . . . . 0.0 110.978 -179.995 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' ILE . . . . . 0.504 ' CD1' ' O ' ' A' ' 53' ' ' LEU . 5.2 mm -102.95 125.74 57.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.534 1.146 . . . . 0.0 109.301 179.968 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 71.6 m -118.01 128.78 55.11 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.44 1.088 . . . . 0.0 110.027 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . 0.408 ' N ' HD22 ' A' ' 23' ' ' LEU . 4.5 mm? -95.97 58.72 1.92 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.489 1.118 . . . . 0.0 109.273 -179.974 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 2.7 m -119.49 167.42 12.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.481 1.113 . . . . 0.0 109.299 -179.987 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 46.08 -143.96 4.0 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.527 1.142 . . . . 0.0 111.031 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 32.6 p -71.43 175.27 5.62 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.509 0.77 . . . . 0.0 110.003 179.982 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 55.0 mtt180 62.75 149.02 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.492 1.12 . . . . 0.0 110.34 -179.947 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -154.88 40.43 0.62 Allowed Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.518 1.137 . . . . 0.0 111.036 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER 73.48 152.32 0.13 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.498 0.764 . . . . 0.0 109.284 -179.963 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -154.41 25.24 0.67 Allowed Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.482 1.114 . . . . 0.0 110.996 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 25.8 p -108.3 155.71 20.19 Favored 'General case' 0 C--N 1.325 -0.475 0 N-CA-C 108.293 -1.003 . . . . 0.0 108.293 -179.977 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -114.1 142.32 46.35 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.504 1.128 . . . . 0.0 109.96 -179.954 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 10.2 pt -110.27 145.24 17.0 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.51 1.131 . . . . 0.0 109.329 179.956 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 24.1 p -125.72 163.38 22.95 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.53 1.144 . . . . 0.0 110.03 179.978 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 61.8 p -94.74 142.99 26.82 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.478 1.111 . . . . 0.0 110.018 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -96.98 163.56 22.32 Favored Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.525 1.14 . . . . 0.0 110.995 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.97 -164.31 0.23 Allowed 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.429 1.752 . . . . 0.0 110.954 -179.983 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 0.8 OUTLIER -79.11 -31.1 14.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.526 1.141 . . . . 0.0 109.313 179.983 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 1.7 pt20 -79.75 -25.95 40.87 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.506 1.129 . . . . 0.0 110.319 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . 0.47 ' N ' ' HD3' ' A' ' 41' ' ' PRO . 0.0 OUTLIER -136.3 61.47 39.02 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.468 1.105 . . . . 0.0 109.297 -179.978 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 41' ' ' PRO . . . . . 0.47 ' HD3' ' N ' ' A' ' 40' ' ' LYS . 18.2 Cg_endo -75.03 147.06 33.3 Favored 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.44 1.758 . . . . 0.0 110.956 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 140.56 -162.07 26.58 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.492 1.12 . . . . 0.0 111.023 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 14.2 mm -117.76 130.68 72.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.525 0.779 . . . . 0.0 109.29 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 44' ' ' PHE . . . . . 0.58 ' CD2' ' HB2' ' A' ' 64' ' ' GLN . 1.3 m-85 -136.36 141.12 43.69 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.479 1.112 . . . . 0.0 111.003 -179.986 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 45' ' ' ILE . . . . . 0.412 HG23 ' N ' ' A' ' 46' ' ' SER . 18.3 mt -68.84 146.29 12.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.474 1.109 . . . . 0.0 109.289 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 46' ' ' SER . . . . . 0.412 ' N ' HG23 ' A' ' 45' ' ' ILE . 1.2 p -111.7 -36.88 5.34 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.52 1.138 . . . . 0.0 109.999 179.983 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 63.6 t-80 -151.86 159.3 43.9 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.485 1.116 . . . . 0.0 109.58 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 26.4 t -140.63 125.33 18.61 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 O-C-N 124.497 1.123 . . . . 0.0 109.285 -179.976 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -75.49 153.5 85.71 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.504 1.127 . . . . 0.0 109.322 179.964 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.95 115.61 4.34 Favored 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.513 1.796 . . . . 0.0 111.026 179.963 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 84.17 28.03 35.14 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.449 1.093 . . . . 0.0 110.997 179.977 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 94.6 p -90.53 169.02 11.39 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.497 0.763 . . . . 0.0 110.014 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . 0.504 ' O ' ' CD1' ' A' ' 21' ' ' ILE . 0.1 OUTLIER -58.21 -18.75 28.33 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.468 1.105 . . . . 0.0 109.285 -179.957 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 54' ' ' SER . . . . . 0.42 ' O ' ' CG2' ' A' ' 57' ' ' VAL . 0.3 OUTLIER -93.25 -34.37 13.59 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.496 1.122 . . . . 0.0 109.975 -179.991 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -71.97 -41.55 67.57 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.496 1.122 . . . . 0.0 109.286 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . 0.435 ' HG3' ' N ' ' A' ' 57' ' ' VAL . 8.2 pt-20 -54.41 -38.07 65.8 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.573 1.17 . . . . 0.0 110.286 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 57' ' ' VAL . . . . . 0.463 ' CG2' ' HG ' ' A' ' 59' ' ' LEU . 32.6 m -80.7 -26.38 11.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.464 1.102 . . . . 0.0 109.297 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 98.17 39.99 3.62 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.526 1.141 . . . . 0.0 111.023 -179.977 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . 0.463 ' HG ' ' CG2' ' A' ' 57' ' ' VAL . 20.8 mt -82.43 145.77 29.67 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.5 0.764 . . . . 0.0 109.32 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 35.9 mt-10 -136.16 162.27 33.41 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.544 1.152 . . . . 0.0 110.288 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 60.2 mt -57.09 129.59 19.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.536 1.147 . . . . 0.0 109.308 180.0 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 117.54 -34.31 4.58 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.477 1.11 . . . . 0.0 111.002 -179.994 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 82.2 m-20 -48.93 98.02 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.546 0.792 . . . . 0.0 109.294 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 64' ' ' GLN . . . . . 0.58 ' HB2' ' CD2' ' A' ' 44' ' ' PHE . 53.8 tt0 -83.0 128.13 34.19 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.509 1.131 . . . . 0.0 110.331 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 65' ' ' ILE . . . . . 0.582 ' CG2' ' CD2' ' A' ' 73' ' ' PHE . 68.0 mt -80.49 108.98 14.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.469 1.106 . . . . 0.0 109.343 179.971 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 14.1 m -97.56 -24.38 4.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.488 1.117 . . . . 0.0 109.25 -179.967 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . 0.417 ' HG2' ' N ' ' A' ' 68' ' ' VAL . 35.9 tt0 -151.86 154.16 35.61 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.494 1.121 . . . . 0.0 110.298 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 68' ' ' VAL . . . . . 0.576 ' CG2' ' CG2' ' A' ' 65' ' ' ILE . 99.5 t -152.32 114.42 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.499 1.125 . . . . 0.0 109.311 -179.975 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 1.2 t-20 57.08 20.68 5.71 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.531 1.145 . . . . 0.0 109.303 -180.0 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 97.16 -0.09 60.12 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.469 1.106 . . . . 0.0 111.005 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 71' ' ' VAL . . . . . 0.436 HG22 ' CG1' ' A' ' 84' ' ' VAL . 61.2 t -75.71 146.03 9.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.458 0.74 . . . . 0.0 109.303 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 4.2 t0 -85.51 87.87 7.45 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.54 1.15 . . . . 0.0 109.358 179.975 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 73' ' ' PHE . . . . . 0.582 ' CD2' ' CG2' ' A' ' 65' ' ' ILE . 3.3 m-85 -86.79 41.88 0.98 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.461 1.101 . . . . 0.0 110.984 -179.954 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 10.3 t -79.46 -67.32 0.77 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.444 1.09 . . . . 0.0 109.983 -179.961 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 6.5 p30 -113.8 49.48 0.98 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.454 1.096 . . . . 0.0 109.268 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 76' ' ' LEU . . . . . 0.581 ' CD1' ' CD1' ' A' ' 73' ' ' PHE . 7.1 mt -78.64 -167.7 1.17 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.475 1.109 . . . . 0.0 109.305 179.964 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 21.2 t70 -136.59 171.68 14.13 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.473 1.108 . . . . 0.0 109.314 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 78' ' ' HIS . . . . . . . . . . . . . 62.4 t-80 -71.9 -6.3 40.84 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.447 1.092 . . . . 0.0 109.646 179.972 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 5.3 mmtt -107.8 -36.28 6.44 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.502 1.126 . . . . 0.0 109.257 -179.97 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 2.1 mm-40 -79.32 -37.41 37.7 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.545 1.153 . . . . 0.0 110.288 -179.965 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -72.81 -26.48 61.52 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.508 1.13 . . . . 0.0 109.281 -179.98 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 82' ' ' VAL . . . . . 0.47 HG12 ' CE ' ' A' ' 86' ' ' LYS . 4.4 t -83.2 -44.33 18.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.536 1.147 . . . . 0.0 109.288 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 13.0 t30 -59.83 -44.88 93.82 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.453 1.096 . . . . 0.0 109.291 -179.952 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 84' ' ' VAL . . . . . 0.436 ' CG1' HG22 ' A' ' 71' ' ' VAL . 88.5 t -69.19 -28.12 37.62 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.478 1.111 . . . . 0.0 109.298 -179.988 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 17.6 mt -78.39 -39.67 38.38 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.522 1.139 . . . . 0.0 109.299 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 86' ' ' LYS . . . . . 0.47 ' CE ' HG12 ' A' ' 82' ' ' VAL . 4.7 ptpt -86.55 -1.92 58.04 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.56 1.163 . . . . 0.0 109.301 -179.986 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 2.2 t -52.99 -67.88 0.22 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.471 1.107 . . . . 0.0 109.99 179.968 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -119.66 -176.98 3.28 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.469 1.106 . . . . 0.0 110.015 179.983 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 5.2 mmt-85 -86.42 -55.19 4.01 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.483 1.114 . . . . 0.0 110.26 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 2.0 m -89.26 119.72 29.99 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.448 1.092 . . . . 0.0 110.004 -179.977 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 91' ' ' LEU . . . . . 0.426 ' O ' ' CD1' ' A' ' 20' ' ' PHE . 1.0 OUTLIER -137.34 148.22 46.13 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.485 1.116 . . . . 0.0 109.246 -179.995 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 92' ' ' THR . . . . . 0.407 ' CG2' ' HD3' ' A' ' 18' ' ' LYS . 2.8 m -106.58 101.32 10.78 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.488 1.117 . . . . 0.0 110.37 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 17.7 mt -89.3 137.22 21.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.495 1.122 . . . . 0.0 109.314 179.975 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -118.97 100.05 7.12 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.536 1.147 . . . . 0.0 109.98 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 1.2 pt -100.33 168.8 1.77 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.524 1.14 . . . . 0.0 109.31 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 96' ' ' VAL . . . . . 0.524 ' O ' ' CG1' ' A' ' 96' ' ' VAL . 75.9 t -111.44 34.29 0.85 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.56 1.162 . . . . 0.0 109.298 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 97' ' ' ALA . . . . . 0.411 ' O ' ' O ' ' A' ' 96' ' ' VAL . . . 47.09 95.27 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.475 1.109 . . . . 0.0 109.279 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 98' ' ' ALA . . . . . 0.437 ' CB ' ' HG3' ' A' ' 101' ' ' ARG . . . 44.29 59.61 3.18 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.472 1.108 . . . . 0.0 109.33 179.979 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -63.79 -76.38 0.07 Allowed 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.534 1.146 . . . . 0.0 109.285 -179.986 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . -89.66 49.14 3.37 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.478 1.111 . . . . 0.0 111.017 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 101' ' ' ARG . . . . . 0.437 ' HG3' ' CB ' ' A' ' 98' ' ' ALA . 0.0 OUTLIER -63.55 -35.92 82.07 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.552 0.795 . . . . 0.0 110.333 179.993 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 9.6 pt-20 -50.93 -31.14 16.75 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.502 1.126 . . . . 0.0 110.32 -179.987 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 103' ' ' LEU . . . . . 0.461 HD13 ' CE2' ' A' ' 44' ' ' PHE . 70.4 mt -54.23 -34.44 60.69 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.441 1.088 . . . . 0.0 109.287 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 104' ' ' PHE . . . . . . . . . . . . . 31.9 m-85 -113.3 49.17 0.98 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.536 1.147 . . . . 0.0 111.002 179.968 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 105' ' ' MET . . . . . . . . . . . . . 2.1 ppp? -97.07 139.35 33.21 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.519 1.137 . . . . 0.0 111.052 179.957 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 22.9 m 55.79 93.45 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.5 1.125 . . . . 0.0 110.425 -179.982 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 15.6 m-20 -126.98 161.07 29.22 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.485 1.116 . . . . 0.0 109.299 -179.98 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -169.41 156.05 6.58 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.484 1.115 . . . . 0.0 110.287 -179.957 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 63.54 156.13 0.06 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.543 1.152 . . . . 0.0 109.988 179.958 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . -157.58 95.98 0.15 Allowed Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.494 1.121 . . . . 0.0 111.041 179.977 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 111' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 98.22 1.14 Allowed 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.532 1.806 . . . . 0.0 111.008 -179.951 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -114.44 98.76 7.1 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.451 1.094 . . . . 0.0 110.012 -179.963 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 28.6 t -149.61 88.6 1.57 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.499 1.125 . . . . 0.0 110.006 -179.98 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.99 0 O-C-N 124.434 1.084 . . . . 0.0 110.994 179.991 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.992 0 N-CA-C 111.026 -0.83 . . . . 0.0 111.026 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 74.6 p -167.64 89.59 0.3 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.521 0.777 . . . . 0.0 109.997 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 36.9 t -169.44 140.5 2.28 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.492 1.12 . . . . 0.0 110.014 179.972 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 147.85 86.5 0.06 OUTLIER Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.553 1.158 . . . . 0.0 110.978 -179.983 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 29.1 t -168.42 103.93 0.44 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.478 0.752 . . . . 0.0 110.02 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 64.1 m -96.71 -20.89 17.92 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.446 1.091 . . . . 0.0 110.017 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 60.96 95.49 0.01 OUTLIER Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.535 1.147 . . . . 0.0 111.016 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 66.7 m -131.71 137.01 29.38 Favored Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.499 0.764 . . . . 0.0 109.987 -179.97 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 -179.03 4.6 Favored 'Trans proline' 0 C--N 1.359 1.12 0 O-C-N 124.518 1.799 . . . . 0.0 111.006 179.957 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 77.47 138.36 1.06 Allowed Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.495 1.122 . . . . 0.0 111.022 -179.953 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 14.2 t-20 -154.75 65.18 0.66 Allowed 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.521 0.777 . . . . 0.0 109.299 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 3.0 mtt180 -107.28 128.78 54.74 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.532 1.145 . . . . 0.0 110.308 -179.981 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -149.29 139.34 22.09 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.486 1.116 . . . . 0.0 110.29 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 7.1 t30 -159.24 -60.62 0.07 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.495 1.122 . . . . 0.0 109.311 179.974 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -72.84 171.32 12.91 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.567 1.167 . . . . 0.0 109.252 -179.977 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 23.7 mt-10 51.66 86.83 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.493 1.121 . . . . 0.0 110.304 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -113.39 157.3 22.07 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.546 1.153 . . . . 0.0 109.321 179.974 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -109.21 123.55 49.43 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.409 1.068 . . . . 0.0 109.278 -179.98 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 0.6 OUTLIER -123.46 117.0 50.0 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.551 1.157 . . . . 0.0 109.271 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' PHE . . . . . 0.597 ' CE2' ' OG1' ' A' ' 92' ' ' THR . 0.2 OUTLIER -93.6 113.51 25.63 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.526 1.141 . . . . 0.0 111.041 179.937 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' ILE . . . . . 0.453 ' CG1' HD12 ' A' ' 93' ' ' ILE . 24.1 mm -96.53 119.44 44.59 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.505 1.128 . . . . 0.0 109.312 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 4.4 p -113.0 123.91 51.41 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.497 1.123 . . . . 0.0 110.027 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -98.1 51.13 1.02 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.491 1.119 . . . . 0.0 109.302 -179.968 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 4.0 m -123.77 168.62 16.11 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.523 1.14 . . . . 0.0 109.31 -179.978 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 67.83 54.94 15.82 Favored Glycine 0 CA--C 1.531 1.042 0 O-C-N 124.51 1.131 . . . . 0.0 110.962 179.941 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 39.78 73.94 0.11 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.489 0.758 . . . . 0.0 110.005 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -145.54 166.25 26.27 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.446 1.091 . . . . 0.0 110.294 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -155.92 143.43 9.78 Favored Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.481 1.113 . . . . 0.0 111.012 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . 0.463 ' CD1' ' SG ' ' A' ' 31' ' ' CYS . 4.4 tp -62.04 145.6 52.68 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.529 0.782 . . . . 0.0 109.326 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -137.04 38.21 1.77 Allowed Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.51 1.132 . . . . 0.0 110.966 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 31' ' ' CYS . . . . . 0.463 ' SG ' ' CD1' ' A' ' 29' ' ' LEU . 17.0 p -127.67 142.1 51.43 Favored 'General case' 0 C--N 1.324 -0.508 0 N-CA-C 108.292 -1.003 . . . . 0.0 108.292 179.969 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -101.86 137.68 39.84 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.508 1.13 . . . . 0.0 109.954 -179.973 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 5.5 pt -108.37 148.08 12.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.471 1.107 . . . . 0.0 109.348 179.967 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 24.1 m -138.64 142.87 39.06 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.509 1.13 . . . . 0.0 110.001 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 1.7 t -81.89 149.74 28.11 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.543 1.152 . . . . 0.0 110.031 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -92.7 174.72 36.46 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.536 1.148 . . . . 0.0 111.024 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.96 -172.31 1.22 Allowed 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.507 1.793 . . . . 0.0 110.982 -179.983 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 0.8 OUTLIER -72.46 -30.19 33.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.489 1.118 . . . . 0.0 109.336 179.945 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 12.3 pt20 -77.12 -31.02 55.48 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.483 1.114 . . . . 0.0 110.321 179.963 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . 0.459 ' N ' ' HD3' ' A' ' 41' ' ' PRO . 0.6 OUTLIER -137.45 62.11 35.03 Favored Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.514 1.134 . . . . 0.0 109.272 179.99 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 41' ' ' PRO . . . . . 0.459 ' HD3' ' N ' ' A' ' 40' ' ' LYS . 18.3 Cg_endo -75.04 146.39 32.47 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.509 1.794 . . . . 0.0 110.974 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 151.54 -166.21 30.67 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.522 1.139 . . . . 0.0 110.981 179.992 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 14.5 mm -114.21 118.74 59.35 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.529 0.782 . . . . 0.0 109.242 -179.949 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 44' ' ' PHE . . . . . 0.567 ' N ' ' CD1' ' A' ' 44' ' ' PHE . 1.5 m-85 -129.35 143.15 50.73 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.475 1.109 . . . . 0.0 110.967 179.98 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 45' ' ' ILE . . . . . 0.594 ' O ' ' CE2' ' A' ' 104' ' ' PHE . 5.4 mt -65.5 150.1 10.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.518 1.136 . . . . 0.0 109.328 179.934 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 1.1 p -119.27 -40.43 2.81 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.521 1.138 . . . . 0.0 110.017 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 44.4 t-80 -156.45 150.39 25.04 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.495 1.122 . . . . 0.0 109.606 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 0.6 OUTLIER -150.26 132.76 6.29 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.454 1.096 . . . . 0.0 109.294 -179.978 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -70.38 143.33 90.47 Favored Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.489 1.118 . . . . 0.0 109.278 -179.978 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.06 65.26 6.12 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.506 1.793 . . . . 0.0 111.012 180.0 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 145.35 44.88 0.04 OUTLIER Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.531 1.144 . . . . 0.0 110.99 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 52' ' ' SER . . . . . 0.44 ' OG ' ' N ' ' A' ' 53' ' ' LEU . 3.3 p -112.5 -150.41 0.46 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.511 0.771 . . . . 0.0 110.012 179.97 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . 0.448 ' O ' ' CG ' ' A' ' 56' ' ' GLU . 0.0 OUTLIER -84.78 -19.71 32.17 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.479 1.112 . . . . 0.0 109.31 -179.973 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 54' ' ' SER . . . . . 0.441 ' CB ' ' HB2' ' A' ' 59' ' ' LEU . 0.7 OUTLIER -94.44 -39.85 10.22 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.475 1.109 . . . . 0.0 109.982 179.977 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -60.62 -32.62 71.76 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.49 1.119 . . . . 0.0 109.289 -179.979 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . 0.448 ' CG ' ' O ' ' A' ' 53' ' ' LEU . 0.9 OUTLIER -61.72 -32.78 73.03 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.492 1.12 . . . . 0.0 110.253 -179.955 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 57' ' ' VAL . . . . . 0.452 ' CG2' ' HG ' ' A' ' 59' ' ' LEU . 33.0 m -95.28 -3.05 10.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.52 1.137 . . . . 0.0 109.259 -179.953 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 79.85 27.3 53.99 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.457 1.098 . . . . 0.0 110.975 179.978 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . 0.452 ' HG ' ' CG2' ' A' ' 57' ' ' VAL . 9.9 mt -68.39 138.73 55.59 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.453 0.737 . . . . 0.0 109.306 179.976 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 39.8 mt-10 -135.65 170.86 15.31 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.537 1.148 . . . . 0.0 110.314 179.97 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 42.5 mt -62.12 137.17 24.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.491 1.119 . . . . 0.0 109.296 -179.982 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 62' ' ' GLY . . . . . 0.428 ' O ' ' N ' ' A' ' 64' ' ' GLN . . . 111.04 -41.65 2.18 Favored Glycine 0 CA--C 1.531 1.048 0 O-C-N 124.484 1.115 . . . . 0.0 110.973 179.986 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 81.4 m-20 -45.24 97.56 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.542 0.789 . . . . 0.0 109.315 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 64' ' ' GLN . . . . . 0.564 ' HB2' ' CD2' ' A' ' 44' ' ' PHE . 28.1 tt0 -82.87 134.82 35.08 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.491 1.12 . . . . 0.0 110.307 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 65' ' ' ILE . . . . . 0.603 ' CG2' ' CG2' ' A' ' 68' ' ' VAL . 16.4 mt -88.38 111.42 22.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.509 1.131 . . . . 0.0 109.255 -179.977 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 17.3 m -101.04 -21.64 5.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.516 1.135 . . . . 0.0 109.359 179.953 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . 0.423 ' HG2' ' N ' ' A' ' 68' ' ' VAL . 33.8 tt0 -151.92 152.46 32.57 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.537 1.148 . . . . 0.0 110.27 179.986 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 68' ' ' VAL . . . . . 0.603 ' CG2' ' CG2' ' A' ' 65' ' ' ILE . 97.7 t -152.25 119.58 0.7 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.514 1.134 . . . . 0.0 109.335 179.988 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 1.1 t-20 51.23 28.57 4.24 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.484 1.115 . . . . 0.0 109.321 -179.956 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 84.84 22.4 53.12 Favored Glycine 0 CA--C 1.529 0.959 0 O-C-N 124.497 1.123 . . . . 0.0 111.036 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 71' ' ' VAL . . . . . 0.491 ' CG2' ' O ' ' A' ' 68' ' ' VAL . 98.6 t -97.39 158.91 3.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.442 0.73 . . . . 0.0 109.331 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 1.8 t0 -94.47 85.18 4.48 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.545 1.153 . . . . 0.0 109.319 179.966 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 73' ' ' PHE . . . . . 0.602 ' CD1' ' CD1' ' A' ' 76' ' ' LEU . 3.8 m-85 -89.62 26.31 1.78 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.483 1.114 . . . . 0.0 111.026 179.979 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -79.35 -47.75 15.26 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.463 1.102 . . . . 0.0 110.014 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 2.0 p30 -124.32 48.55 1.91 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.469 1.106 . . . . 0.0 109.312 179.964 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 76' ' ' LEU . . . . . 0.602 ' CD1' ' CD1' ' A' ' 73' ' ' PHE . 7.1 mt -87.41 -167.71 1.98 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.513 1.133 . . . . 0.0 109.31 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 38.2 t70 -133.4 172.16 13.08 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.491 1.119 . . . . 0.0 109.324 179.969 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 78' ' ' HIS . . . . . . . . . . . . . 60.2 t-80 -72.35 -5.82 39.01 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.485 1.115 . . . . 0.0 109.576 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 9.7 mmtt -109.01 -37.24 5.87 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.474 1.108 . . . . 0.0 109.32 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 3.7 mt-10 -78.62 -35.79 45.07 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.527 1.142 . . . . 0.0 110.333 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -73.69 -31.64 63.54 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.495 1.122 . . . . 0.0 109.31 179.937 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 44.2 t -82.06 -39.02 16.15 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.54 1.15 . . . . 0.0 109.302 -179.959 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 41.3 t30 -63.92 -40.22 95.97 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.504 1.127 . . . . 0.0 109.326 179.962 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 83.2 t -73.23 -33.48 41.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.502 1.126 . . . . 0.0 109.267 -179.982 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 25.9 mt -75.69 -35.28 60.37 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.468 1.105 . . . . 0.0 109.311 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -88.45 -3.66 58.78 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.508 1.13 . . . . 0.0 109.267 -179.953 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 4.9 t -57.54 -59.79 4.65 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.477 1.111 . . . . 0.0 109.98 -179.936 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -128.25 174.39 9.32 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.471 1.107 . . . . 0.0 110.004 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 24.7 mmt180 -81.51 -58.94 2.8 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.503 1.127 . . . . 0.0 110.312 179.952 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -83.13 117.78 23.12 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.519 1.137 . . . . 0.0 110.039 179.958 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 1.1 mt -140.85 143.9 35.01 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.521 1.138 . . . . 0.0 109.307 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 92' ' ' THR . . . . . 0.597 ' OG1' ' CE2' ' A' ' 20' ' ' PHE . 44.0 m -100.12 100.27 11.1 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.471 1.107 . . . . 0.0 110.385 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 93' ' ' ILE . . . . . 0.453 HD12 ' CG1' ' A' ' 21' ' ' ILE . 16.8 mt -89.91 135.16 26.96 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.551 1.157 . . . . 0.0 109.303 179.978 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -115.79 103.24 10.46 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.488 1.118 . . . . 0.0 109.976 -179.971 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 1.5 pt -100.3 168.47 1.84 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.462 1.101 . . . . 0.0 109.325 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 96' ' ' VAL . . . . . 0.488 ' O ' ' CG1' ' A' ' 96' ' ' VAL . 76.0 t -108.32 31.27 0.99 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.473 1.108 . . . . 0.0 109.296 179.985 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 97' ' ' ALA . . . . . 0.434 ' O ' ' O ' ' A' ' 96' ' ' VAL . . . 45.16 95.54 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.479 1.112 . . . . 0.0 109.313 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . 47.74 58.64 4.8 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.531 1.144 . . . . 0.0 109.302 179.992 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 99' ' ' ALA . . . . . 0.466 ' CB ' ' HB ' ' A' ' 96' ' ' VAL . . . -65.21 -68.63 0.35 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.478 1.111 . . . . 0.0 109.316 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . -106.08 59.93 0.39 Allowed Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.532 1.145 . . . . 0.0 110.989 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 1.1 ttp180 -70.78 -29.95 66.29 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.505 0.768 . . . . 0.0 110.319 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 10.5 pt-20 -58.52 -40.04 81.78 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.498 1.124 . . . . 0.0 110.326 179.954 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 103' ' ' LEU . . . . . 0.551 HD12 ' CE2' ' A' ' 44' ' ' PHE . 48.3 mt -40.76 -42.62 1.81 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.483 1.115 . . . . 0.0 109.294 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 104' ' ' PHE . . . . . 0.594 ' CE2' ' O ' ' A' ' 45' ' ' ILE . 48.7 m-85 -102.59 -51.2 3.37 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.52 1.138 . . . . 0.0 110.998 -179.973 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 105' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER 61.11 172.34 0.1 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.488 1.117 . . . . 0.0 110.994 -179.97 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 4.7 t -72.4 122.23 20.86 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.492 1.12 . . . . 0.0 110.389 -179.934 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 6.1 t70 -143.92 132.6 22.42 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.499 1.124 . . . . 0.0 109.278 -179.969 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -108.79 167.41 10.09 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.546 1.154 . . . . 0.0 110.326 179.97 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -156.93 139.11 14.6 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.484 1.115 . . . . 0.0 110.0 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . -76.18 116.6 4.81 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.54 1.15 . . . . 0.0 111.004 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 111' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.96 124.92 9.0 Favored 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.505 1.792 . . . . 0.0 111.007 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 51.28 67.18 0.99 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.503 1.127 . . . . 0.0 109.962 179.957 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 53.44 76.12 0.23 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.516 1.135 . . . . 0.0 109.965 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.001 0 O-C-N 124.497 1.123 . . . . 0.0 110.979 179.983 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.001 0 N-CA-C 111.017 -0.833 . . . . 0.0 111.017 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 37.8 t -172.93 93.86 0.11 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.553 0.796 . . . . 0.0 109.962 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 38.3 p 179.59 153.31 0.46 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.467 1.104 . . . . 0.0 110.018 179.983 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 159.21 100.18 0.16 Allowed Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.49 1.119 . . . . 0.0 111.015 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 179.44 81.31 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.506 0.768 . . . . 0.0 110.003 -179.961 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -109.69 -27.01 9.57 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.45 1.094 . . . . 0.0 109.935 -179.966 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 77.76 139.8 1.34 Allowed Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.5 1.125 . . . . 0.0 111.02 -179.963 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -106.49 117.42 57.12 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.5 0.765 . . . . 0.0 109.992 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 153.78 42.1 Favored 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.454 1.765 . . . . 0.0 111.038 179.944 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -172.0 153.5 19.69 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.462 1.102 . . . . 0.0 110.981 179.985 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 2.7 t-20 -161.05 108.69 1.51 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.456 0.739 . . . . 0.0 109.315 -179.975 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -119.22 118.79 32.24 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.525 1.141 . . . . 0.0 110.263 -179.972 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 4.5 tt0 -165.9 129.2 2.11 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.527 1.142 . . . . 0.0 110.284 179.985 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 6.1 t-20 -168.33 -61.2 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.516 1.135 . . . . 0.0 109.294 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -85.0 171.05 12.4 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.519 1.137 . . . . 0.0 109.31 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 17.9 mt-10 63.89 108.14 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.497 1.123 . . . . 0.0 110.304 -179.979 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . 0.47 ' CE ' HD11 ' A' ' 95' ' ' ILE . 0.6 OUTLIER -126.49 141.76 51.77 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.497 1.123 . . . . 0.0 109.279 -179.961 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -92.7 125.86 37.51 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.535 1.147 . . . . 0.0 109.298 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 2.6 m -129.36 121.91 54.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.475 1.109 . . . . 0.0 109.286 -179.982 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' PHE . . . . . 0.59 ' CE2' ' OG1' ' A' ' 92' ' ' THR . 0.1 OUTLIER -100.89 115.96 31.64 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.514 1.134 . . . . 0.0 111.018 179.977 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' ILE . . . . . 0.47 HG23 ' CD1' ' A' ' 29' ' ' LEU . 33.1 mm -97.66 118.11 43.57 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 O-C-N 124.533 1.145 . . . . 0.0 109.309 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 18.2 p -112.87 104.31 12.3 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.418 1.074 . . . . 0.0 109.989 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 3.6 mp -79.14 78.19 5.61 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.506 1.129 . . . . 0.0 109.285 179.979 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 2.4 m -128.1 157.32 40.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.496 1.122 . . . . 0.0 109.337 179.974 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 53.55 -144.83 24.92 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.505 1.128 . . . . 0.0 110.997 -179.959 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 80.5 p -83.76 56.29 3.59 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.452 0.736 . . . . 0.0 109.994 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 19.2 mtm-85 -155.34 94.92 1.65 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.475 1.11 . . . . 0.0 110.315 179.979 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -118.41 50.54 0.8 Allowed Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.479 1.112 . . . . 0.0 110.984 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . 0.47 ' CD1' HG23 ' A' ' 21' ' ' ILE . 0.8 OUTLIER 66.37 147.27 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.468 0.746 . . . . 0.0 109.273 179.967 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -146.49 22.83 1.69 Allowed Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.502 1.126 . . . . 0.0 110.987 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 24.6 p -111.74 148.15 34.11 Favored 'General case' 0 C--N 1.325 -0.482 0 N-CA-C 108.341 -0.985 . . . . 0.0 108.341 179.952 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -102.78 141.84 34.92 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.522 1.138 . . . . 0.0 109.996 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 33' ' ' ILE . . . . . 0.414 HD11 ' CG2' ' A' ' 82' ' ' VAL . 6.3 pt -117.92 145.92 23.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.522 1.138 . . . . 0.0 109.3 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -134.87 168.9 18.23 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.476 1.11 . . . . 0.0 109.989 -179.981 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 74.1 p -96.5 143.48 27.47 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.51 1.131 . . . . 0.0 110.018 179.977 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -95.32 164.7 24.68 Favored Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.521 1.138 . . . . 0.0 111.003 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.05 -172.04 1.15 Allowed 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.492 1.785 . . . . 0.0 110.962 -179.956 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 0.7 OUTLIER -72.18 -30.33 35.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.511 1.132 . . . . 0.0 109.325 -179.976 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 16.9 pt20 -78.09 -30.19 49.43 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.507 1.13 . . . . 0.0 110.3 179.978 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . 0.476 ' N ' ' HD3' ' A' ' 41' ' ' PRO . 0.0 OUTLIER -136.01 61.57 41.31 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.5 1.125 . . . . 0.0 109.3 -179.996 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 41' ' ' PRO . . . . . 0.476 ' HD3' ' N ' ' A' ' 40' ' ' LYS . 18.2 Cg_endo -75.0 146.53 32.76 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.505 1.792 . . . . 0.0 110.992 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 142.6 -163.94 27.13 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.509 1.13 . . . . 0.0 110.983 179.954 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 7.5 mm -116.2 118.6 59.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.49 0.759 . . . . 0.0 109.252 -179.965 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 44' ' ' PHE . . . . . 0.573 ' N ' ' CD1' ' A' ' 44' ' ' PHE . 1.2 m-85 -126.63 140.24 52.57 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.521 1.138 . . . . 0.0 111.014 179.974 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 45' ' ' ILE . . . . . 0.527 ' O ' ' CZ ' ' A' ' 104' ' ' PHE . 25.5 mt -66.56 145.06 14.12 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.524 1.14 . . . . 0.0 109.288 -180.0 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 46' ' ' SER . . . . . 0.494 ' HA ' ' CE2' ' A' ' 104' ' ' PHE . 0.8 OUTLIER -108.88 -37.36 5.88 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.509 1.131 . . . . 0.0 109.964 -179.992 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 58.8 t-80 -160.27 154.86 23.91 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.482 1.114 . . . . 0.0 109.61 -179.961 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 1.2 p -150.16 127.51 2.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.46 1.1 . . . . 0.0 109.297 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 1.8 mttt -67.7 154.17 93.85 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.559 1.162 . . . . 0.0 109.283 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 130.11 12.94 Favored 'Trans proline' 0 C--N 1.361 1.19 0 O-C-N 124.45 1.763 . . . . 0.0 110.976 -179.983 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 76.7 2.91 77.8 Favored Glycine 0 CA--C 1.529 0.96 0 O-C-N 124.566 1.166 . . . . 0.0 111.016 -179.987 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 80.7 p -56.41 -163.71 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.456 0.739 . . . . 0.0 110.011 -179.972 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . 0.431 ' CD2' HG22 ' A' ' 21' ' ' ILE . 32.0 tp -83.83 -20.85 32.47 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.5 1.125 . . . . 0.0 109.304 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 54' ' ' SER . . . . . 0.471 ' O ' ' CG2' ' A' ' 57' ' ' VAL . 3.8 m -94.56 -32.99 13.21 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.48 1.112 . . . . 0.0 109.974 -179.965 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -68.59 -30.67 69.48 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.492 1.12 . . . . 0.0 109.287 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . 0.42 ' HG3' ' N ' ' A' ' 57' ' ' VAL . 2.8 pt-20 -63.84 -34.29 77.6 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.529 1.143 . . . . 0.0 110.309 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 57' ' ' VAL . . . . . 0.471 ' CG2' ' O ' ' A' ' 54' ' ' SER . 20.5 m -83.59 -21.3 8.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.482 1.114 . . . . 0.0 109.359 179.976 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 99.61 38.57 3.65 Favored Glycine 0 CA--C 1.531 1.045 0 O-C-N 124.52 1.138 . . . . 0.0 110.99 179.968 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . 0.462 ' HG ' ' CG2' ' A' ' 57' ' ' VAL . 16.6 mt -85.91 141.57 29.47 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.573 0.807 . . . . 0.0 109.299 -179.983 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 25.0 mt-10 -135.13 172.25 13.28 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.523 1.14 . . . . 0.0 110.286 179.975 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 26.5 mt -67.5 124.15 22.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.481 1.113 . . . . 0.0 109.28 179.983 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 119.96 -35.16 3.91 Favored Glycine 0 CA--C 1.529 0.951 0 O-C-N 124.47 1.106 . . . . 0.0 110.966 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 85.1 m-20 -47.02 98.87 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.514 0.773 . . . . 0.0 109.319 179.983 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 64' ' ' GLN . . . . . 0.565 ' HB2' ' CD2' ' A' ' 44' ' ' PHE . 44.4 tt0 -82.92 128.6 34.6 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.489 1.118 . . . . 0.0 110.277 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 65' ' ' ILE . . . . . 0.574 ' CG2' ' CG2' ' A' ' 68' ' ' VAL . 54.1 mt -78.27 113.0 16.93 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.47 1.106 . . . . 0.0 109.302 179.975 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . 0.457 ' CG2' ' O ' ' A' ' 94' ' ' SER . 16.8 m -101.93 -21.24 5.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.506 1.129 . . . . 0.0 109.304 179.976 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . 0.434 ' HG2' ' N ' ' A' ' 68' ' ' VAL . 29.0 tt0 -156.02 150.4 25.71 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.545 1.153 . . . . 0.0 110.321 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 68' ' ' VAL . . . . . 0.579 ' HB ' ' CE1' ' A' ' 73' ' ' PHE . 64.4 t -148.74 117.85 1.07 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.472 1.108 . . . . 0.0 109.269 -179.959 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 1.1 t-20 53.92 25.2 5.13 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.476 1.11 . . . . 0.0 109.336 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 88.38 19.18 53.48 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.486 1.116 . . . . 0.0 111.001 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 71' ' ' VAL . . . . . 0.496 ' CG2' ' O ' ' A' ' 68' ' ' VAL . 65.8 t -93.96 158.41 2.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.493 0.761 . . . . 0.0 109.264 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 7.0 t0 -93.19 89.29 6.38 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.473 1.108 . . . . 0.0 109.294 179.967 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 73' ' ' PHE . . . . . 0.592 ' CD1' ' CD1' ' A' ' 76' ' ' LEU . 4.8 m-85 -95.39 21.57 7.93 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.456 1.097 . . . . 0.0 110.992 -180.0 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -75.96 -30.46 58.63 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.507 1.129 . . . . 0.0 110.006 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 6.9 m-80 -143.24 46.32 1.53 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.537 1.148 . . . . 0.0 109.36 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 76' ' ' LEU . . . . . 0.592 ' CD1' ' CD1' ' A' ' 73' ' ' PHE . 5.0 mt -82.84 -165.48 1.07 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.456 1.098 . . . . 0.0 109.293 -179.947 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 19.4 t0 -131.57 169.15 16.52 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.469 1.106 . . . . 0.0 109.322 179.958 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 78' ' ' HIS . . . . . . . . . . . . . 61.4 t-80 -71.71 -6.92 44.74 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.535 1.147 . . . . 0.0 109.663 179.987 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 19.0 mttt -109.39 -34.77 6.44 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.494 1.121 . . . . 0.0 109.285 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 1.8 mm-40 -79.66 -37.84 34.99 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.464 1.103 . . . . 0.0 110.306 -179.986 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -70.88 -27.59 63.93 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.504 1.127 . . . . 0.0 109.337 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 82' ' ' VAL . . . . . 0.473 HG13 ' CE ' ' A' ' 86' ' ' LYS . 24.8 t -85.96 -38.48 12.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.458 1.099 . . . . 0.0 109.334 179.956 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 2.3 t30 -65.25 -41.79 93.96 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.491 1.119 . . . . 0.0 109.301 179.976 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 69.5 t -73.56 -26.9 22.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.54 1.15 . . . . 0.0 109.31 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 19.9 mt -80.7 -41.21 24.05 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.491 1.12 . . . . 0.0 109.306 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 86' ' ' LYS . . . . . 0.473 ' CE ' HG13 ' A' ' 82' ' ' VAL . 9.2 ptpt -83.46 -2.96 57.1 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.5 1.125 . . . . 0.0 109.257 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -56.12 -57.25 12.97 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.463 1.102 . . . . 0.0 110.046 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -127.54 -170.36 2.21 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.517 1.136 . . . . 0.0 109.966 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -98.94 -52.71 3.48 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.492 1.12 . . . . 0.0 110.295 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -90.17 110.82 21.83 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.459 1.099 . . . . 0.0 109.998 179.967 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 91' ' ' LEU . . . . . 0.435 ' O ' ' CD1' ' A' ' 20' ' ' PHE . 1.1 mp -133.44 148.15 51.74 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.516 1.135 . . . . 0.0 109.308 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 92' ' ' THR . . . . . 0.59 ' OG1' ' CE2' ' A' ' 20' ' ' PHE . 67.4 m -102.84 100.9 10.93 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.49 1.119 . . . . 0.0 110.399 -179.975 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 93' ' ' ILE . . . . . 0.465 HD12 ' CG1' ' A' ' 21' ' ' ILE . 18.8 mt -89.23 137.47 21.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.474 1.109 . . . . 0.0 109.34 179.982 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 94' ' ' SER . . . . . 0.457 ' O ' ' CG2' ' A' ' 66' ' ' VAL . 0.3 OUTLIER -122.65 102.72 8.22 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.511 1.132 . . . . 0.0 109.968 -179.941 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 95' ' ' ILE . . . . . 0.47 HD11 ' CE ' ' A' ' 17' ' ' LYS . 1.4 pt -99.96 177.84 0.69 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.459 1.099 . . . . 0.0 109.342 179.96 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 96' ' ' VAL . . . . . 0.48 ' O ' ' CG1' ' A' ' 96' ' ' VAL . 84.8 t -115.78 35.37 1.02 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.468 1.105 . . . . 0.0 109.32 -179.973 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 97' ' ' ALA . . . . . 0.403 ' O ' ' O ' ' A' ' 96' ' ' VAL . . . 45.13 93.69 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.486 1.116 . . . . 0.0 109.274 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . 45.46 58.98 3.82 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.546 1.154 . . . . 0.0 109.273 180.0 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 99' ' ' ALA . . . . . 0.449 ' CB ' ' HB ' ' A' ' 96' ' ' VAL . . . -61.76 -73.05 0.11 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.489 1.118 . . . . 0.0 109.287 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . -104.1 56.85 0.55 Allowed Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.455 1.097 . . . . 0.0 110.967 -179.977 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 7.0 ptt180 -72.39 -24.6 61.27 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.541 0.789 . . . . 0.0 110.286 179.968 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 10.8 pt-20 -56.02 -24.71 40.92 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.484 1.115 . . . . 0.0 110.269 -179.97 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 103' ' ' LEU . . . . . 0.553 HD13 ' CD2' ' A' ' 44' ' ' PHE . 82.4 mt -56.48 -41.39 76.51 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.466 1.104 . . . . 0.0 109.324 179.976 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 104' ' ' PHE . . . . . 0.527 ' CZ ' ' O ' ' A' ' 45' ' ' ILE . 4.2 m-85 -103.44 47.27 0.89 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.498 1.124 . . . . 0.0 111.002 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 105' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -64.45 108.97 1.79 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.491 1.119 . . . . 0.0 111.0 -179.971 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 106' ' ' THR . . . . . 0.406 HG21 ' N ' ' A' ' 107' ' ' ASP . 53.1 m 61.46 148.87 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.528 1.143 . . . . 0.0 110.377 179.977 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 107' ' ' ASP . . . . . 0.406 ' N ' HG21 ' A' ' 106' ' ' THR . 0.8 OUTLIER -176.99 115.73 0.1 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.455 1.097 . . . . 0.0 109.304 179.997 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -70.49 -24.86 62.93 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.488 1.117 . . . . 0.0 110.309 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER 69.14 -78.77 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.522 1.139 . . . . 0.0 109.971 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 122.19 159.62 10.68 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.438 1.086 . . . . 0.0 111.003 -179.98 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 111' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 -52.28 0.11 Allowed 'Trans proline' 0 C--N 1.359 1.13 0 O-C-N 124.52 1.8 . . . . 0.0 111.021 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 3.0 m 60.02 105.98 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.534 1.146 . . . . 0.0 110.003 179.969 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 5.2 m -105.8 101.02 10.56 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.505 1.128 . . . . 0.0 109.999 -179.987 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.976 0 O-C-N 124.498 1.124 . . . . 0.0 111.027 179.984 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.992 0 N-CA-C 111.003 -0.839 . . . . 0.0 111.003 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 62.25 167.21 0.11 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.474 0.749 . . . . 0.0 110.022 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 7.3 t 65.65 149.01 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.486 1.116 . . . . 0.0 110.046 -179.921 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -179.11 172.53 44.67 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.509 1.131 . . . . 0.0 110.999 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -145.8 163.52 34.74 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.488 0.758 . . . . 0.0 110.011 179.982 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 58.6 p -121.89 30.3 6.71 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.518 1.137 . . . . 0.0 110.038 -180.0 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 154.75 142.61 3.48 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.533 1.146 . . . . 0.0 110.978 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -122.55 128.32 25.48 Favored Pre-proline 0 C--N 1.326 -0.456 0 O-C-N 124.511 0.771 . . . . 0.0 110.008 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 158.43 42.12 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.516 1.798 . . . . 0.0 111.029 179.978 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -167.62 96.75 0.13 Allowed Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.512 1.132 . . . . 0.0 110.989 -179.98 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 8.9 t-20 -163.95 -56.83 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.535 0.785 . . . . 0.0 109.326 179.964 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 5.8 mtp180 42.56 92.72 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.488 1.118 . . . . 0.0 110.298 179.976 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -113.79 111.58 22.0 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.531 1.144 . . . . 0.0 110.298 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -175.98 -63.84 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.467 1.104 . . . . 0.0 109.304 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 11.1 mttt -69.45 170.63 10.15 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.555 1.16 . . . . 0.0 109.297 179.97 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 24.2 mt-10 48.7 91.82 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.538 1.149 . . . . 0.0 110.344 -179.962 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . 0.471 ' CE ' HD11 ' A' ' 95' ' ' ILE . 0.0 OUTLIER -106.14 154.48 20.62 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.532 1.145 . . . . 0.0 109.31 -179.986 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -107.57 114.02 27.72 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.479 1.112 . . . . 0.0 109.274 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 1.0 OUTLIER -118.03 131.86 69.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.499 1.124 . . . . 0.0 109.321 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' PHE . . . . . 0.559 ' CE2' ' OG1' ' A' ' 92' ' ' THR . 3.7 t80 -107.32 111.97 24.58 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.498 1.124 . . . . 0.0 110.983 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' ILE . . . . . 0.471 ' CD1' ' O ' ' A' ' 53' ' ' LEU . 25.3 mm -103.19 112.02 35.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.515 1.134 . . . . 0.0 109.315 179.969 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 8.3 t -114.68 122.93 47.98 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.536 1.147 . . . . 0.0 109.996 179.981 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 3.0 mm? -83.05 58.35 4.37 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.465 1.103 . . . . 0.0 109.314 179.983 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 2.5 m -126.47 163.32 28.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.502 1.126 . . . . 0.0 109.331 179.961 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . 0.426 ' O ' ' N ' ' A' ' 27' ' ' ARG . . . 54.56 178.15 0.15 Allowed Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.482 1.114 . . . . 0.0 110.98 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 2.8 m -64.57 77.62 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.511 0.771 . . . . 0.0 110.031 179.943 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . 0.426 ' N ' ' O ' ' A' ' 25' ' ' GLY . 0.4 OUTLIER -173.27 122.16 0.37 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.505 1.128 . . . . 0.0 110.269 -179.98 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . 0.41 ' O ' ' C ' ' A' ' 29' ' ' LEU . . . -134.12 138.37 10.02 Favored Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.459 1.099 . . . . 0.0 111.005 179.971 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . 0.41 ' C ' ' O ' ' A' ' 28' ' ' GLY . 0.8 OUTLIER -39.89 129.96 2.05 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.465 0.744 . . . . 0.0 109.296 179.984 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -128.64 35.56 2.63 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.538 1.149 . . . . 0.0 110.99 179.978 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 27.4 p -125.74 149.49 48.49 Favored 'General case' 0 C--N 1.325 -0.468 0 N-CA-C 108.308 -0.997 . . . . 0.0 108.308 179.978 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -108.34 140.44 41.61 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.442 1.089 . . . . 0.0 110.051 179.945 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 4.0 pt -105.02 152.34 6.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.51 1.131 . . . . 0.0 109.315 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -127.84 169.69 13.63 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.476 1.11 . . . . 0.0 110.005 -179.977 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 93.4 p -105.1 142.43 34.9 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.487 1.117 . . . . 0.0 109.998 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -96.61 161.49 22.1 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.468 1.105 . . . . 0.0 110.971 -179.977 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 -172.82 1.36 Allowed 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.486 1.782 . . . . 0.0 111.028 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 0.8 OUTLIER -71.56 -30.27 38.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.503 1.127 . . . . 0.0 109.253 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 11.9 pt20 -78.09 -28.71 48.78 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.489 1.118 . . . . 0.0 110.306 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . 0.455 ' N ' ' HD3' ' A' ' 41' ' ' PRO . 27.6 tttt -138.85 62.46 27.46 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.475 1.109 . . . . 0.0 109.347 179.954 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 41' ' ' PRO . . . . . 0.455 ' HD3' ' N ' ' A' ' 40' ' ' LYS . 18.2 Cg_endo -75.01 145.14 31.05 Favored 'Trans proline' 0 C--N 1.361 1.186 0 O-C-N 124.539 1.81 . . . . 0.0 110.971 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 150.83 -158.9 27.9 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.497 1.123 . . . . 0.0 110.973 179.974 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 43' ' ' ILE . . . . . 0.462 HG22 ' CD1' ' A' ' 65' ' ' ILE . 7.9 mm -126.74 121.58 58.74 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.492 0.76 . . . . 0.0 109.264 -179.927 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 44' ' ' PHE . . . . . 0.576 ' CD2' ' HB2' ' A' ' 64' ' ' GLN . 2.3 m-85 -128.48 146.33 50.84 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.489 1.118 . . . . 0.0 110.989 -179.979 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 45' ' ' ILE . . . . . 0.408 ' O ' ' CZ ' ' A' ' 104' ' ' PHE . 14.6 mt -71.06 138.41 21.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.519 1.137 . . . . 0.0 109.319 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -104.77 -36.76 7.3 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.506 1.129 . . . . 0.0 109.994 -179.949 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 43.3 t-80 -154.91 147.47 24.19 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.491 1.12 . . . . 0.0 109.563 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 48' ' ' VAL . . . . . 0.4 ' CG2' ' HB2' ' A' ' 54' ' ' SER . 0.8 OUTLIER -150.93 121.89 1.04 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.527 1.142 . . . . 0.0 109.293 -179.98 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . 0.439 ' O ' ' CB ' ' A' ' 55' ' ' ALA . 9.9 mtpt -67.78 156.92 88.05 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.491 1.119 . . . . 0.0 109.273 -179.968 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 -21.7 15.61 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.476 1.777 . . . . 0.0 110.995 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -118.37 53.54 0.65 Allowed Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.546 1.154 . . . . 0.0 111.003 -179.983 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 13.8 p -120.41 -179.59 4.01 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.494 0.761 . . . . 0.0 109.976 -179.965 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . 0.471 ' O ' ' CD1' ' A' ' 21' ' ' ILE . 0.4 OUTLIER -73.26 -9.8 59.09 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.502 1.126 . . . . 0.0 109.322 179.983 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 54' ' ' SER . . . . . 0.537 ' O ' ' CG2' ' A' ' 57' ' ' VAL . 0.9 OUTLIER -96.35 -55.16 3.03 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.516 1.135 . . . . 0.0 110.004 -179.999 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . 0.439 ' CB ' ' O ' ' A' ' 49' ' ' LYS . . . -51.78 -39.34 58.47 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.508 1.13 . . . . 0.0 109.312 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . 0.447 ' HG3' ' N ' ' A' ' 57' ' ' VAL . 3.0 pt-20 -55.24 -29.58 58.31 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.485 1.116 . . . . 0.0 110.318 179.971 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 57' ' ' VAL . . . . . 0.537 ' CG2' ' O ' ' A' ' 54' ' ' SER . 3.2 m -91.87 -22.76 5.95 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.512 1.133 . . . . 0.0 109.3 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 58' ' ' GLY . . . . . 0.42 ' N ' HG22 ' A' ' 57' ' ' VAL . . . 101.29 39.43 3.04 Favored Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.53 1.144 . . . . 0.0 111.032 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . 0.505 ' HG ' ' CG2' ' A' ' 57' ' ' VAL . 15.6 mt -85.62 140.91 30.2 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.498 0.764 . . . . 0.0 109.32 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 32.4 mt-10 -138.45 164.53 29.13 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.489 1.118 . . . . 0.0 110.353 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 39.7 mt -59.88 126.6 17.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.472 1.107 . . . . 0.0 109.294 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 122.73 -35.64 3.37 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.518 1.136 . . . . 0.0 110.989 179.974 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . 0.411 ' OD2' ' CD2' ' A' ' 59' ' ' LEU . 72.5 m-20 -49.94 98.08 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.468 0.746 . . . . 0.0 109.301 -179.979 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 64' ' ' GLN . . . . . 0.576 ' HB2' ' CD2' ' A' ' 44' ' ' PHE . 58.2 tt0 -83.05 123.07 29.13 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.501 1.126 . . . . 0.0 110.319 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 65' ' ' ILE . . . . . 0.617 ' CG2' ' CG2' ' A' ' 68' ' ' VAL . 2.6 mt -76.99 109.49 11.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.504 1.127 . . . . 0.0 109.275 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 23.3 m -100.75 -24.34 4.13 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.472 1.107 . . . . 0.0 109.278 179.976 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . 0.441 ' HG2' ' N ' ' A' ' 68' ' ' VAL . 29.6 tt0 -149.8 148.7 29.5 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.441 1.088 . . . . 0.0 110.318 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 68' ' ' VAL . . . . . 0.617 ' CG2' ' CG2' ' A' ' 65' ' ' ILE . 95.3 t -148.25 121.56 1.8 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.5 1.125 . . . . 0.0 109.311 179.98 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 1.1 t-20 51.07 26.46 2.8 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.538 1.149 . . . . 0.0 109.301 179.988 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 86.47 22.28 48.04 Favored Glycine 0 CA--C 1.529 0.959 0 O-C-N 124.488 1.117 . . . . 0.0 111.023 -179.954 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 71' ' ' VAL . . . . . 0.505 ' CG2' ' O ' ' A' ' 68' ' ' VAL . 81.3 t -96.17 158.76 3.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.479 0.752 . . . . 0.0 109.328 179.958 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 3.0 t0 -93.83 91.24 6.86 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.457 1.098 . . . . 0.0 109.309 -179.983 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 73' ' ' PHE . . . . . 0.588 ' CD1' ' CD1' ' A' ' 76' ' ' LEU . 5.1 m-85 -96.91 17.47 16.75 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.466 1.104 . . . . 0.0 111.04 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -67.48 -30.59 70.32 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.505 1.128 . . . . 0.0 110.024 179.97 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 75.4 m-20 -148.79 56.02 1.02 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.476 1.11 . . . . 0.0 109.332 -179.977 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 76' ' ' LEU . . . . . 0.588 ' CD1' ' CD1' ' A' ' 73' ' ' PHE . 6.3 mt -89.59 -166.99 1.73 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.496 1.123 . . . . 0.0 109.312 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 37.3 t70 -130.73 170.38 14.43 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.453 1.095 . . . . 0.0 109.315 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 78' ' ' HIS . . . . . . . . . . . . . 64.6 t-80 -71.59 -6.67 42.57 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.492 1.12 . . . . 0.0 109.567 -179.987 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 4.1 mmtt -108.62 -37.18 5.99 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.486 1.116 . . . . 0.0 109.294 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 3.0 mm-40 -78.42 -38.6 41.11 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.526 1.141 . . . . 0.0 110.284 -179.979 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -69.8 -30.89 68.54 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.46 1.1 . . . . 0.0 109.288 -179.983 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 82' ' ' VAL . . . . . 0.452 HG11 ' CE ' ' A' ' 86' ' ' LYS . 11.5 t -79.63 -48.05 21.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.535 1.147 . . . . 0.0 109.333 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 45.0 t30 -54.66 -45.94 73.91 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.5 1.125 . . . . 0.0 109.31 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 71.2 t -67.81 -24.97 31.46 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 O-C-N 124.522 1.139 . . . . 0.0 109.288 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 15.2 mt -81.05 -40.41 24.24 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.546 1.154 . . . . 0.0 109.332 179.983 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 86' ' ' LYS . . . . . 0.452 ' CE ' HG11 ' A' ' 82' ' ' VAL . 0.9 OUTLIER -84.49 -1.51 55.85 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.484 1.115 . . . . 0.0 109.271 -179.987 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 9.3 t -55.66 -66.67 0.38 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.447 1.092 . . . . 0.0 109.987 -179.982 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 88' ' ' SER . . . . . 0.477 ' O ' ' CD1' ' A' ' 91' ' ' LEU . 0.5 OUTLIER -128.77 176.74 7.58 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.508 1.13 . . . . 0.0 109.994 179.969 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 21.9 mmt85 -82.53 -58.22 3.01 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.489 1.118 . . . . 0.0 110.28 -179.932 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -78.94 108.97 12.81 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.535 1.147 . . . . 0.0 109.986 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 91' ' ' LEU . . . . . 0.477 ' CD1' ' O ' ' A' ' 88' ' ' SER . 1.1 mt -133.08 143.58 49.42 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.556 1.16 . . . . 0.0 109.334 179.954 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 92' ' ' THR . . . . . 0.559 ' OG1' ' CE2' ' A' ' 20' ' ' PHE . 18.8 m -103.82 100.95 10.76 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.564 1.165 . . . . 0.0 110.427 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 15.4 mt -89.48 132.77 33.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.529 1.143 . . . . 0.0 109.329 180.0 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -114.82 102.83 10.37 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.461 1.101 . . . . 0.0 110.019 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 95' ' ' ILE . . . . . 0.471 HD11 ' CE ' ' A' ' 17' ' ' LYS . 1.6 pt -104.82 167.46 2.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.497 1.123 . . . . 0.0 109.345 179.966 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 96' ' ' VAL . . . . . 0.486 ' O ' ' CG1' ' A' ' 96' ' ' VAL . 73.3 t -104.87 29.56 0.89 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.481 1.113 . . . . 0.0 109.304 -179.977 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 97' ' ' ALA . . . . . 0.415 ' O ' ' O ' ' A' ' 96' ' ' VAL . . . 45.29 94.58 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.522 1.139 . . . . 0.0 109.268 179.978 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 98' ' ' ALA . . . . . 0.4 ' HB1' ' NE ' ' A' ' 101' ' ' ARG . . . 53.44 54.88 9.43 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.487 1.117 . . . . 0.0 109.271 179.958 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 99' ' ' ALA . . . . . 0.471 ' CB ' ' HB ' ' A' ' 96' ' ' VAL . . . -62.77 -69.92 0.23 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.515 1.134 . . . . 0.0 109.273 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . -102.59 59.71 0.54 Allowed Glycine 0 CA--C 1.529 0.954 0 O-C-N 124.514 1.134 . . . . 0.0 111.019 -179.99 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 101' ' ' ARG . . . . . 0.4 ' NE ' ' HB1' ' A' ' 98' ' ' ALA . 1.0 OUTLIER -71.19 -25.43 62.52 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.494 0.761 . . . . 0.0 110.279 -179.974 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -66.88 -27.52 67.58 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.534 1.146 . . . . 0.0 110.275 -179.982 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 14.8 mt -53.93 -38.94 65.43 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.462 1.101 . . . . 0.0 109.306 179.969 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 104' ' ' PHE . . . . . 0.408 ' CZ ' ' O ' ' A' ' 45' ' ' ILE . 49.0 m-85 -105.22 54.29 0.71 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.481 1.113 . . . . 0.0 111.022 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 105' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -78.09 -57.96 3.51 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.469 1.106 . . . . 0.0 111.035 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 17.7 m 63.08 115.87 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.523 1.139 . . . . 0.0 110.43 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 15.9 p-10 -124.68 139.91 53.43 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.483 1.114 . . . . 0.0 109.346 -179.987 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 5.1 mtt180 -177.83 150.51 0.64 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.492 1.12 . . . . 0.0 110.292 -179.98 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 52.6 p -98.27 136.94 37.74 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.463 1.102 . . . . 0.0 109.997 179.986 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 124.46 91.59 0.93 Allowed Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.558 1.161 . . . . 0.0 111.026 -179.973 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 111' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 138.84 23.54 Favored 'Trans proline' 0 C--N 1.359 1.124 0 O-C-N 124.523 1.802 . . . . 0.0 111.012 -179.987 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 7.8 t -142.75 126.02 16.53 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.523 1.139 . . . . 0.0 110.046 179.981 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -94.85 127.37 40.82 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.504 1.127 . . . . 0.0 109.975 -179.973 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.991 0 O-C-N 124.548 1.155 . . . . 0.0 111.013 179.973 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.02 0 N-CA-C 111.029 -0.829 . . . . 0.0 111.029 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.6 t -147.04 159.64 43.34 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.526 0.78 . . . . 0.0 110.001 179.947 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 48.2 t 58.16 100.31 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.51 1.131 . . . . 0.0 109.977 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 158.46 138.05 2.4 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.565 1.165 . . . . 0.0 110.99 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 47.2 p -131.47 150.45 52.15 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.439 0.729 . . . . 0.0 110.005 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 8.1 t -91.36 -26.98 18.64 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.46 1.1 . . . . 0.0 109.976 -179.989 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 56.16 164.95 0.04 OUTLIER Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.51 1.131 . . . . 0.0 111.001 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 23.0 t -102.64 123.09 43.81 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.473 0.749 . . . . 0.0 109.964 -179.938 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 -53.23 0.1 Allowed 'Trans proline' 0 C--N 1.359 1.109 0 O-C-N 124.494 1.786 . . . . 0.0 111.017 179.96 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 73.05 109.57 0.06 OUTLIER Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.504 1.127 . . . . 0.0 111.016 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -100.38 118.9 37.58 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.553 0.796 . . . . 0.0 109.315 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 175.62 117.86 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.502 1.126 . . . . 0.0 110.297 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 1.4 mt-10 -175.38 108.74 0.1 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.496 1.122 . . . . 0.0 110.317 -179.956 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 68.4 m-80 -73.69 -54.65 7.61 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.52 1.138 . . . . 0.0 109.33 179.974 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -74.7 170.4 15.91 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.482 1.114 . . . . 0.0 109.268 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 18.3 mt-10 53.54 95.09 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.506 1.129 . . . . 0.0 110.298 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . 0.426 ' HE2' ' CD1' ' A' ' 95' ' ' ILE . 0.0 OUTLIER -116.19 144.87 43.61 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.453 1.095 . . . . 0.0 109.287 -180.0 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -92.64 135.27 34.23 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.518 1.136 . . . . 0.0 109.278 179.974 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER -135.46 116.84 19.87 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.451 1.095 . . . . 0.0 109.271 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 0.9 OUTLIER -95.01 110.49 22.39 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.46 1.1 . . . . 0.0 111.009 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' ILE . . . . . 0.432 HD12 ' CG1' ' A' ' 57' ' ' VAL . 28.5 mm -105.61 109.78 28.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.535 1.147 . . . . 0.0 109.298 -180.0 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 55.8 p -112.94 134.78 54.29 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.528 1.143 . . . . 0.0 109.978 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . 0.465 ' CD1' ' HA2' ' A' ' 28' ' ' GLY . 2.9 mm? -71.36 65.15 0.42 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.496 1.123 . . . . 0.0 109.309 179.974 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 1.4 m -140.8 -165.04 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.536 1.148 . . . . 0.0 109.268 -179.966 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 50.39 46.77 44.74 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.519 1.137 . . . . 0.0 111.016 179.967 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 83.1 p 41.04 74.75 0.1 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.468 0.746 . . . . 0.0 110.049 -179.961 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 1.5 mtm180 -167.0 160.75 14.42 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.484 1.115 . . . . 0.0 110.33 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . 0.465 ' HA2' ' CD1' ' A' ' 23' ' ' LEU . . . -145.06 29.89 1.8 Allowed Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.553 1.158 . . . . 0.0 111.012 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 1.1 tp 72.94 130.89 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.505 0.768 . . . . 0.0 109.321 -179.963 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -127.43 25.68 5.07 Favored Glycine 0 CA--C 1.529 0.947 0 O-C-N 124.558 1.161 . . . . 0.0 111.039 179.959 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 31' ' ' CYS . . . . . 0.415 ' SG ' ' OG ' ' A' ' 54' ' ' SER . 26.4 p -112.7 146.79 38.09 Favored 'General case' 0 C--N 1.325 -0.469 0 N-CA-C 108.297 -1.001 . . . . 0.0 108.297 -179.984 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -108.77 138.66 44.74 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.533 1.146 . . . . 0.0 110.03 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 11.5 pt -106.29 146.55 12.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.515 1.134 . . . . 0.0 109.275 -179.936 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 53.6 p -128.43 160.05 33.49 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.522 1.139 . . . . 0.0 109.98 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 22.1 p -89.32 147.87 23.86 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.473 1.108 . . . . 0.0 109.968 -179.984 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -100.59 161.82 18.77 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.519 1.137 . . . . 0.0 110.994 179.976 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 -170.63 0.81 Allowed 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.47 1.774 . . . . 0.0 111.011 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 0.8 OUTLIER -73.19 -30.35 30.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.507 1.13 . . . . 0.0 109.332 179.983 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 4.2 pt20 -78.2 -29.66 48.54 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.433 1.083 . . . . 0.0 110.315 179.979 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . 0.467 ' HG2' ' CD1' ' A' ' 103' ' ' LEU . 0.4 OUTLIER -137.19 61.91 35.74 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.548 1.155 . . . . 0.0 109.31 179.953 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 41' ' ' PRO . . . . . 0.466 ' HD3' ' N ' ' A' ' 40' ' ' LYS . 18.1 Cg_endo -75.03 146.75 32.92 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.522 1.801 . . . . 0.0 110.982 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 141.67 -160.24 26.96 Favored Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.461 1.101 . . . . 0.0 110.988 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 11.7 mm -115.23 124.95 72.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.548 0.793 . . . . 0.0 109.322 179.96 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 44' ' ' PHE . . . . . 0.58 ' CD2' ' HB2' ' A' ' 64' ' ' GLN . 3.4 m-85 -132.78 136.92 46.61 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.509 1.131 . . . . 0.0 111.017 179.958 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 45' ' ' ILE . . . . . 0.461 ' O ' ' CE2' ' A' ' 104' ' ' PHE . 8.4 mt -63.06 143.38 15.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.498 1.124 . . . . 0.0 109.286 -179.963 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 5.7 p -111.95 -36.19 5.47 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.548 1.155 . . . . 0.0 109.997 -179.984 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 63.4 t-80 -157.17 149.11 22.59 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.518 1.136 . . . . 0.0 109.622 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -150.53 119.33 0.89 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.506 1.129 . . . . 0.0 109.339 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 4.9 mtpt -68.08 152.03 96.76 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.531 1.144 . . . . 0.0 109.28 -179.967 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 134.4 17.8 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.546 1.814 . . . . 0.0 111.022 179.967 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 81.01 -6.65 62.04 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.537 1.148 . . . . 0.0 111.03 -179.962 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 58.5 p -55.97 -169.75 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.514 0.773 . . . . 0.0 110.005 179.977 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . 0.415 ' C ' ' HG2' ' A' ' 56' ' ' GLU . 12.1 tp -76.63 -18.75 58.42 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.457 1.098 . . . . 0.0 109.269 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 54' ' ' SER . . . . . 0.509 ' O ' ' CG2' ' A' ' 57' ' ' VAL . 1.1 m -95.62 -46.06 6.79 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.549 1.156 . . . . 0.0 110.004 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -58.79 -35.5 72.92 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.515 1.134 . . . . 0.0 109.298 -179.985 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . 0.441 ' HG3' ' N ' ' A' ' 57' ' ' VAL . 2.8 pt-20 -59.95 -30.04 68.81 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.46 1.1 . . . . 0.0 110.291 179.979 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 57' ' ' VAL . . . . . 0.509 ' CG2' ' O ' ' A' ' 54' ' ' SER . 4.1 m -90.84 -14.98 8.62 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.457 1.098 . . . . 0.0 109.293 -179.969 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 96.39 27.43 9.93 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.52 1.138 . . . . 0.0 111.004 179.976 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . 0.479 ' CD1' ' HB3' ' A' ' 54' ' ' SER . 10.9 mt -75.3 141.74 43.36 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.497 0.763 . . . . 0.0 109.307 179.977 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 29.9 mt-10 -140.54 171.93 13.43 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.537 1.148 . . . . 0.0 110.326 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 61' ' ' ILE . . . . . 0.412 ' O ' ' CG ' ' A' ' 101' ' ' ARG . 30.9 mt -67.12 132.53 32.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.499 1.124 . . . . 0.0 109.328 179.957 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 113.85 -32.75 5.83 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.471 1.107 . . . . 0.0 110.974 179.968 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . 0.46 ' OD2' ' CD2' ' A' ' 59' ' ' LEU . 43.2 m-20 -52.55 98.98 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.47 0.747 . . . . 0.0 109.318 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 64' ' ' GLN . . . . . 0.58 ' HB2' ' CD2' ' A' ' 44' ' ' PHE . 41.7 tt0 -82.65 122.61 28.35 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.511 1.132 . . . . 0.0 110.303 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 65' ' ' ILE . . . . . 0.604 ' CG2' ' CG2' ' A' ' 68' ' ' VAL . 92.5 mt -73.96 108.19 5.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.509 1.131 . . . . 0.0 109.259 -179.969 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 12.8 m -96.66 -23.28 4.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.534 1.146 . . . . 0.0 109.275 -179.983 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . 0.411 ' HG2' ' N ' ' A' ' 68' ' ' VAL . 38.0 tt0 -152.47 154.42 35.47 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.503 1.127 . . . . 0.0 110.299 179.973 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 68' ' ' VAL . . . . . 0.604 ' CG2' ' CG2' ' A' ' 65' ' ' ILE . 77.4 t -152.32 114.6 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 O-C-N 124.478 1.111 . . . . 0.0 109.29 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 1.5 t-20 58.83 17.04 4.92 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.573 1.171 . . . . 0.0 109.348 -179.97 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 100.13 -1.2 56.21 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.5 1.125 . . . . 0.0 110.976 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 58.4 t -75.87 145.16 11.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.494 0.761 . . . . 0.0 109.293 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 2.1 t0 -84.17 91.16 7.64 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.488 1.118 . . . . 0.0 109.316 -179.969 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 73' ' ' PHE . . . . . 0.595 ' CD1' ' CD1' ' A' ' 76' ' ' LEU . 3.1 m-85 -88.15 35.52 0.75 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.525 1.141 . . . . 0.0 111.0 -179.94 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 2.8 t -70.34 -65.49 0.72 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.5 1.125 . . . . 0.0 109.977 -179.945 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 2.4 m-80 -119.18 54.79 0.96 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.502 1.126 . . . . 0.0 109.246 -179.952 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 76' ' ' LEU . . . . . 0.595 ' CD1' ' CD1' ' A' ' 73' ' ' PHE . 6.6 mt -81.42 -166.38 1.16 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.454 1.096 . . . . 0.0 109.315 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 28.7 t70 -135.68 169.52 17.42 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.534 1.147 . . . . 0.0 109.343 179.965 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 78' ' ' HIS . . . . . . . . . . . . . 61.3 t-80 -70.58 -7.18 42.06 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.462 1.101 . . . . 0.0 109.581 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -108.22 -37.14 6.1 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.52 1.138 . . . . 0.0 109.315 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 80' ' ' GLU . . . . . 0.417 ' O ' ' CG2' ' A' ' 84' ' ' VAL . 2.7 mt-10 -76.53 -37.18 57.09 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.551 1.157 . . . . 0.0 110.292 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -72.66 -40.63 66.17 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.546 1.154 . . . . 0.0 109.281 179.977 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 82' ' ' VAL . . . . . 0.462 ' O ' ' N ' ' A' ' 86' ' ' LYS . 4.4 t -65.75 -52.17 53.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.495 1.122 . . . . 0.0 109.309 179.959 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 83' ' ' ASN . . . . . 0.48 ' HA ' ' CD ' ' A' ' 86' ' ' LYS . 6.7 t30 -53.43 -46.57 69.85 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.475 1.109 . . . . 0.0 109.298 -179.958 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 84' ' ' VAL . . . . . 0.417 ' CG2' ' O ' ' A' ' 80' ' ' GLU . 93.1 t -67.71 -22.13 28.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.445 1.09 . . . . 0.0 109.253 -179.97 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 25.3 mt -85.9 -31.56 22.12 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.491 1.119 . . . . 0.0 109.288 -179.97 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 86' ' ' LYS . . . . . 0.48 ' CD ' ' HA ' ' A' ' 83' ' ' ASN . 0.0 OUTLIER -97.2 -0.99 45.87 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.506 1.129 . . . . 0.0 109.346 179.971 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 87' ' ' SER . . . . . 0.458 ' N ' ' O ' ' A' ' 83' ' ' ASN . 8.5 t -53.18 -70.36 0.09 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.487 1.117 . . . . 0.0 110.032 -179.97 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -116.74 -178.71 3.49 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.495 1.122 . . . . 0.0 110.002 179.955 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 12.2 mmt85 -83.99 -56.76 3.5 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.523 1.139 . . . . 0.0 110.279 -179.98 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -85.78 117.66 24.79 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.475 1.109 . . . . 0.0 110.035 179.976 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 1.1 mt -135.68 147.29 48.48 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.463 1.102 . . . . 0.0 109.293 179.958 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 92.7 m -109.93 101.18 10.04 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.45 1.094 . . . . 0.0 110.365 -179.952 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 93' ' ' ILE . . . . . 0.431 HD11 ' CG1' ' A' ' 21' ' ' ILE . 11.2 mt -89.07 136.15 24.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.481 1.113 . . . . 0.0 109.28 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -118.74 103.89 10.08 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.491 1.119 . . . . 0.0 110.011 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 95' ' ' ILE . . . . . 0.426 ' CD1' ' HE2' ' A' ' 17' ' ' LYS . 1.1 pt -100.52 174.56 0.98 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.466 1.104 . . . . 0.0 109.35 179.985 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 96' ' ' VAL . . . . . 0.497 ' O ' ' CG1' ' A' ' 96' ' ' VAL . 68.9 t -114.3 31.75 1.56 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.49 1.119 . . . . 0.0 109.303 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 97' ' ' ALA . . . . . 0.44 ' O ' ' O ' ' A' ' 96' ' ' VAL . . . 45.24 96.15 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.548 1.155 . . . . 0.0 109.279 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . 46.99 59.17 4.17 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.55 1.156 . . . . 0.0 109.276 179.966 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 99' ' ' ALA . . . . . 0.452 ' CB ' ' HB ' ' A' ' 96' ' ' VAL . . . -66.04 -70.39 0.24 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.519 1.137 . . . . 0.0 109.276 -179.982 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . -105.53 60.5 0.39 Allowed Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.431 1.082 . . . . 0.0 111.009 179.971 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 101' ' ' ARG . . . . . 0.412 ' CG ' ' O ' ' A' ' 61' ' ' ILE . 0.0 OUTLIER -72.26 -31.46 65.79 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.498 0.763 . . . . 0.0 110.301 179.995 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 11.6 pt-20 -61.38 -25.45 67.18 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.508 1.13 . . . . 0.0 110.279 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 103' ' ' LEU . . . . . 0.577 HD11 ' CE2' ' A' ' 44' ' ' PHE . 86.3 mt -54.18 -25.09 20.81 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.501 1.126 . . . . 0.0 109.348 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 104' ' ' PHE . . . . . 0.461 ' CE2' ' O ' ' A' ' 45' ' ' ILE . 86.4 m-85 -113.79 58.63 0.67 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.472 1.107 . . . . 0.0 111.025 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 105' ' ' MET . . . . . . . . . . . . . 1.3 mmt -108.47 83.75 1.82 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.482 1.114 . . . . 0.0 111.02 -179.962 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 4.0 m -154.94 -71.3 0.12 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.567 1.167 . . . . 0.0 110.417 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 1.4 t0 71.81 137.17 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.52 1.138 . . . . 0.0 109.287 -179.985 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -173.76 108.96 0.15 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.511 1.132 . . . . 0.0 110.307 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -90.22 164.66 14.32 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.502 1.126 . . . . 0.0 110.023 179.979 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 178.01 88.07 0.07 OUTLIER Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.484 1.115 . . . . 0.0 110.981 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 111' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 -63.94 0.03 OUTLIER 'Trans proline' 0 C--N 1.361 1.186 0 O-C-N 124.477 1.778 . . . . 0.0 111.029 179.954 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 1.5 m -83.41 100.14 10.51 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.519 1.137 . . . . 0.0 109.978 -179.982 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 2.3 m -92.72 106.35 18.34 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.497 1.123 . . . . 0.0 110.016 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.007 0 O-C-N 124.483 1.114 . . . . 0.0 110.984 -179.976 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.023 0 N-CA-C 111.021 -0.832 . . . . 0.0 111.021 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER 63.49 129.65 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.551 0.795 . . . . 0.0 109.971 -179.984 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -178.31 111.69 0.06 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.521 1.138 . . . . 0.0 109.945 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 170.68 98.33 0.11 Allowed Glycine 0 CA--C 1.531 1.048 0 O-C-N 124.492 1.12 . . . . 0.0 110.987 179.95 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 14.4 m -145.0 122.66 11.81 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.51 0.771 . . . . 0.0 110.021 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.4 t -104.92 29.02 6.62 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.489 1.118 . . . . 0.0 110.033 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 86.55 160.9 35.13 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.538 1.148 . . . . 0.0 111.012 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 3.2 m -118.77 105.94 44.75 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.427 0.722 . . . . 0.0 109.999 -179.954 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.91 160.64 40.15 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.505 1.792 . . . . 0.0 111.036 179.975 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 139.74 113.45 1.09 Allowed Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.523 1.139 . . . . 0.0 111.055 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 19.6 t-20 -178.38 138.06 0.17 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.474 0.749 . . . . 0.0 109.348 -179.975 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -132.2 151.89 51.58 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.473 1.108 . . . . 0.0 110.282 -179.991 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 12.0 pt-20 -109.48 128.01 54.85 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.489 1.118 . . . . 0.0 110.301 180.0 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 5.4 t-20 179.98 -59.9 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.497 1.123 . . . . 0.0 109.342 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -89.63 171.17 9.87 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.52 1.138 . . . . 0.0 109.298 -180.0 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 20.9 mt-10 47.52 84.55 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.51 1.131 . . . . 0.0 110.292 -179.983 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -111.21 144.13 40.86 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.48 1.112 . . . . 0.0 109.347 179.969 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -94.8 139.01 31.86 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.512 1.133 . . . . 0.0 109.311 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 3.5 m -140.64 124.22 17.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.556 1.16 . . . . 0.0 109.283 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' PHE . . . . . 0.598 ' CE2' ' OG1' ' A' ' 92' ' ' THR . 0.1 OUTLIER -96.99 122.16 39.67 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.491 1.119 . . . . 0.0 110.972 -179.977 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' ILE . . . . . 0.507 ' CD1' ' O ' ' A' ' 53' ' ' LEU . 9.3 mm -108.15 118.58 56.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.472 1.108 . . . . 0.0 109.32 179.972 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 79.1 p -110.93 113.84 26.71 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.445 1.091 . . . . 0.0 109.98 -179.989 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . 0.467 ' CD1' ' HA2' ' A' ' 28' ' ' GLY . 3.9 mm? -82.55 58.43 4.18 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.521 1.138 . . . . 0.0 109.273 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 2.3 m -125.87 167.29 20.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.531 1.144 . . . . 0.0 109.31 179.962 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 68.33 -165.49 46.51 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.525 1.14 . . . . 0.0 111.013 -179.983 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 3.0 p -81.15 68.56 7.49 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.499 0.764 . . . . 0.0 109.99 -179.968 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 1.2 mtt180 -178.2 119.18 0.09 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.512 1.133 . . . . 0.0 110.306 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . 0.467 ' HA2' ' CD1' ' A' ' 23' ' ' LEU . . . -121.84 58.34 0.59 Allowed Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.425 1.078 . . . . 0.0 111.027 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 3.6 tp 63.41 154.63 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.501 0.765 . . . . 0.0 109.288 -179.972 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -154.22 28.77 0.71 Allowed Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.544 1.152 . . . . 0.0 111.006 179.976 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 20.1 p -117.4 143.3 46.13 Favored 'General case' 0 C--N 1.325 -0.476 0 N-CA-C 108.289 -1.004 . . . . 0.0 108.289 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -99.4 137.65 37.6 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.485 1.116 . . . . 0.0 109.963 -179.971 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 11.8 pt -112.34 144.67 19.62 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.504 1.127 . . . . 0.0 109.262 -179.971 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 14.7 m -127.27 141.05 51.82 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.533 1.146 . . . . 0.0 110.002 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 22.3 p -78.54 127.71 32.53 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.472 1.107 . . . . 0.0 109.993 -179.969 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -74.35 166.09 54.78 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.451 1.094 . . . . 0.0 111.012 180.0 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.06 -173.43 1.57 Allowed 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.464 1.77 . . . . 0.0 110.994 179.98 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 0.7 OUTLIER -71.41 -29.99 37.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.437 1.085 . . . . 0.0 109.282 -179.96 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 15.1 pt20 -78.2 -29.25 48.34 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.486 1.116 . . . . 0.0 110.316 179.979 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . 0.458 ' N ' ' HD3' ' A' ' 41' ' ' PRO . 7.1 tttt -137.84 62.54 34.67 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.522 1.139 . . . . 0.0 109.33 179.967 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 41' ' ' PRO . . . . . 0.458 ' HD3' ' N ' ' A' ' 40' ' ' LYS . 18.3 Cg_endo -75.04 144.7 30.42 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.483 1.781 . . . . 0.0 111.017 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 152.46 -153.59 24.98 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.513 1.133 . . . . 0.0 110.972 -179.967 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 43' ' ' ILE . . . . . 0.423 HG13 ' CB ' ' A' ' 81' ' ' ALA . 33.5 mm -126.61 126.56 69.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.502 0.766 . . . . 0.0 109.279 -179.972 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 44' ' ' PHE . . . . . 0.594 ' CD2' ' HB2' ' A' ' 64' ' ' GLN . 1.9 m-85 -133.92 151.61 51.56 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.468 1.105 . . . . 0.0 111.015 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 45' ' ' ILE . . . . . 0.463 ' O ' ' CE2' ' A' ' 104' ' ' PHE . 26.2 mt -83.51 142.12 13.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.515 1.134 . . . . 0.0 109.323 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 46' ' ' SER . . . . . 0.42 ' N ' HG23 ' A' ' 45' ' ' ILE . 28.5 t -110.34 -36.26 5.84 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.566 1.167 . . . . 0.0 109.975 -179.98 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 58.4 t-80 -157.69 156.25 31.39 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.473 1.108 . . . . 0.0 109.593 -179.974 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -150.3 135.1 9.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.518 1.136 . . . . 0.0 109.343 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 2.1 mttt -71.43 147.38 92.66 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.492 1.12 . . . . 0.0 109.311 -179.975 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 56.78 4.36 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.532 1.807 . . . . 0.0 111.017 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 155.4 43.65 0.02 OUTLIER Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.498 1.124 . . . . 0.0 110.993 -179.981 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 98.1 p -115.27 -177.0 3.03 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.512 0.772 . . . . 0.0 110.032 180.0 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . 0.507 ' O ' ' CD1' ' A' ' 21' ' ' ILE . 0.5 OUTLIER -61.8 -15.67 43.5 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.52 1.137 . . . . 0.0 109.289 -179.966 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 54' ' ' SER . . . . . 0.473 ' O ' ' CG2' ' A' ' 57' ' ' VAL . 0.1 OUTLIER -92.35 -41.88 10.1 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.48 1.113 . . . . 0.0 110.006 179.995 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -63.16 -44.45 95.46 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.46 1.1 . . . . 0.0 109.339 179.961 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . 0.444 ' HG3' ' N ' ' A' ' 57' ' ' VAL . 8.6 pt-20 -52.36 -34.67 48.7 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.494 1.121 . . . . 0.0 110.347 179.958 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 57' ' ' VAL . . . . . 0.473 ' CG2' ' O ' ' A' ' 54' ' ' SER . 26.9 m -91.72 -19.73 6.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.498 1.124 . . . . 0.0 109.325 179.968 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 92.0 25.81 21.09 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.47 1.106 . . . . 0.0 111.002 -179.988 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . 0.451 ' CD2' ' OD2' ' A' ' 63' ' ' ASP . 13.9 mt -66.44 138.11 57.32 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.477 0.751 . . . . 0.0 109.331 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 24.5 mt-10 -127.74 168.86 14.51 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.524 1.14 . . . . 0.0 110.312 -179.975 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 61' ' ' ILE . . . . . 0.451 ' O ' ' CG ' ' A' ' 101' ' ' ARG . 22.9 mt -62.17 139.38 20.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.478 1.111 . . . . 0.0 109.313 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 62' ' ' GLY . . . . . 0.418 ' N ' HG23 ' A' ' 61' ' ' ILE . . . 106.59 -33.43 6.45 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.513 1.133 . . . . 0.0 111.057 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . 0.451 ' OD2' ' CD2' ' A' ' 59' ' ' LEU . 65.9 m-20 -49.7 97.21 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.531 0.783 . . . . 0.0 109.271 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 64' ' ' GLN . . . . . 0.594 ' HB2' ' CD2' ' A' ' 44' ' ' PHE . 50.5 tt0 -83.2 127.25 33.46 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.521 1.138 . . . . 0.0 110.314 179.966 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 65' ' ' ILE . . . . . 0.624 ' CG2' ' CG2' ' A' ' 68' ' ' VAL . 17.5 mt -80.57 109.12 14.67 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.434 0 O-C-N 124.483 1.115 . . . . 0.0 109.317 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 3.5 m -98.18 -25.92 3.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.529 1.143 . . . . 0.0 109.303 -179.983 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . 0.428 ' HG2' ' N ' ' A' ' 68' ' ' VAL . 27.2 tt0 -145.28 153.15 40.98 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.523 1.139 . . . . 0.0 110.288 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 68' ' ' VAL . . . . . 0.624 ' CG2' ' CG2' ' A' ' 65' ' ' ILE . 86.3 t -152.62 112.58 0.41 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.509 1.131 . . . . 0.0 109.334 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 1.1 t-20 53.29 25.73 4.69 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.474 1.109 . . . . 0.0 109.319 -179.958 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 88.95 18.63 53.79 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.547 1.155 . . . . 0.0 111.025 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 71' ' ' VAL . . . . . 0.44 HG12 ' CD1' ' A' ' 73' ' ' PHE . 70.1 t -100.26 131.6 47.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.516 0.774 . . . . 0.0 109.286 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 2.5 t0 -68.5 84.94 0.28 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.502 1.126 . . . . 0.0 109.284 -179.978 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 73' ' ' PHE . . . . . 0.594 ' CE1' ' HB ' ' A' ' 68' ' ' VAL . 2.4 m-85 -87.89 18.33 4.23 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.513 1.133 . . . . 0.0 110.962 -179.965 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -74.75 -55.3 6.0 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.518 1.137 . . . . 0.0 109.964 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 85.0 m-20 -112.56 49.04 0.95 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.505 1.128 . . . . 0.0 109.294 -179.953 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 76' ' ' LEU . . . . . 0.587 ' CD1' ' CD1' ' A' ' 73' ' ' PHE . 6.0 mt -90.26 -166.27 1.55 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.479 1.112 . . . . 0.0 109.297 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 25.0 t70 -131.98 169.26 16.56 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.54 1.15 . . . . 0.0 109.288 179.964 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 78' ' ' HIS . . . . . . . . . . . . . 60.6 t-80 -71.3 -6.38 39.46 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.525 1.141 . . . . 0.0 109.637 179.971 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 11.9 mmtt -109.76 -36.64 5.87 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.495 1.122 . . . . 0.0 109.299 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 4.4 mm-40 -76.97 -37.11 55.82 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.506 1.129 . . . . 0.0 110.266 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 81' ' ' ALA . . . . . 0.423 ' CB ' HG13 ' A' ' 43' ' ' ILE . . . -71.26 -35.23 71.32 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.467 1.104 . . . . 0.0 109.35 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 82' ' ' VAL . . . . . 0.45 HG11 ' CE ' ' A' ' 86' ' ' LYS . 41.1 t -79.13 -36.64 18.55 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 O-C-N 124.509 1.131 . . . . 0.0 109.301 179.983 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 2.9 t30 -63.03 -46.95 85.16 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.504 1.128 . . . . 0.0 109.294 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 78.9 t -70.04 -33.26 54.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.477 1.111 . . . . 0.0 109.301 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 15.1 mt -73.12 -36.77 66.79 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.455 1.097 . . . . 0.0 109.297 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 86' ' ' LYS . . . . . 0.45 ' CE ' HG11 ' A' ' 82' ' ' VAL . 9.6 ptpt -90.29 -3.11 57.98 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.519 1.137 . . . . 0.0 109.323 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 46.7 t -59.13 -60.23 4.2 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.533 1.145 . . . . 0.0 109.995 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -120.19 -176.11 3.13 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.482 1.113 . . . . 0.0 109.989 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 17.0 mmt180 -91.9 -55.42 3.46 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.492 1.12 . . . . 0.0 110.308 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 1.4 m -90.63 121.03 32.19 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.519 1.137 . . . . 0.0 110.014 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 91' ' ' LEU . . . . . 0.439 ' O ' ' CD1' ' A' ' 20' ' ' PHE . 1.1 mt -140.48 142.67 35.28 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.557 1.161 . . . . 0.0 109.279 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 92' ' ' THR . . . . . 0.598 ' OG1' ' CE2' ' A' ' 20' ' ' PHE . 16.3 m -98.14 101.02 12.38 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.527 1.142 . . . . 0.0 110.411 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 93' ' ' ILE . . . . . 0.424 ' CD1' HG13 ' A' ' 21' ' ' ILE . 21.0 mt -89.85 143.81 10.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.505 1.128 . . . . 0.0 109.269 -179.966 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -124.76 103.23 7.98 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.505 1.128 . . . . 0.0 110.006 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 1.1 pt -100.35 167.17 2.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.533 1.146 . . . . 0.0 109.332 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 96' ' ' VAL . . . . . 0.518 ' O ' ' CG1' ' A' ' 96' ' ' VAL . 79.2 t -110.57 35.22 0.69 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.522 1.139 . . . . 0.0 109.331 179.988 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 97' ' ' ALA . . . . . 0.41 ' O ' ' O ' ' A' ' 96' ' ' VAL . . . 46.51 95.0 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.551 1.157 . . . . 0.0 109.303 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 98' ' ' ALA . . . . . 0.469 ' CB ' ' HG3' ' A' ' 101' ' ' ARG . . . 44.19 59.49 3.2 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.475 1.109 . . . . 0.0 109.295 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -62.05 -57.52 11.29 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.515 1.134 . . . . 0.0 109.286 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . -113.6 58.74 0.41 Allowed Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.52 1.137 . . . . 0.0 110.985 -179.976 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 101' ' ' ARG . . . . . 0.469 ' HG3' ' CB ' ' A' ' 98' ' ' ALA . 0.0 OUTLIER -71.02 -35.83 72.17 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.474 0.75 . . . . 0.0 110.292 -179.995 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 1.3 pt-20 -57.69 -29.58 64.79 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.522 1.139 . . . . 0.0 110.317 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 69.4 mt -53.17 -38.92 63.2 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.506 1.129 . . . . 0.0 109.295 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 104' ' ' PHE . . . . . 0.463 ' CE2' ' O ' ' A' ' 45' ' ' ILE . 65.1 m-85 -102.56 52.3 0.8 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.528 1.143 . . . . 0.0 110.975 -179.967 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 105' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -81.22 128.56 33.92 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.501 1.126 . . . . 0.0 111.032 179.96 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 41.1 m 61.48 126.02 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.492 1.12 . . . . 0.0 110.375 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -107.12 150.34 26.68 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.493 1.12 . . . . 0.0 109.304 179.956 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -127.81 -58.34 1.23 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.485 1.116 . . . . 0.0 110.295 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -60.17 108.09 0.74 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.468 1.105 . . . . 0.0 109.987 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . -122.99 156.54 17.4 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.554 1.159 . . . . 0.0 110.975 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 111' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 168.7 24.25 Favored 'Trans proline' 0 C--N 1.361 1.205 0 O-C-N 124.467 1.772 . . . . 0.0 110.985 -179.988 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 18.0 m 55.32 168.67 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.487 1.117 . . . . 0.0 110.023 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 87.9 p 47.02 83.53 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.486 1.116 . . . . 0.0 110.025 -179.967 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.99 0 O-C-N 124.537 1.148 . . . . 0.0 111.001 -179.989 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.993 0 N-CA-C 110.978 -0.849 . . . . 0.0 110.978 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -158.0 167.04 31.03 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.492 0.76 . . . . 0.0 110.007 179.971 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 13.9 m -118.66 169.93 9.4 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.442 1.089 . . . . 0.0 110.0 -179.981 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -139.97 163.82 26.21 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.521 1.138 . . . . 0.0 111.023 -179.98 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 8.3 m -150.44 137.66 19.47 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.515 0.773 . . . . 0.0 110.005 179.944 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 54.0 p -121.59 30.42 6.73 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.516 1.135 . . . . 0.0 109.994 179.999 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -123.33 147.22 16.64 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.482 1.114 . . . . 0.0 110.988 179.99 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 18.6 p -137.29 126.71 15.31 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.473 0.749 . . . . 0.0 109.998 179.957 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.01 -179.47 5.03 Favored 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.509 1.794 . . . . 0.0 111.003 179.982 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -136.39 -88.59 0.24 Allowed Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.541 1.151 . . . . 0.0 111.017 179.995 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER 64.3 144.19 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.536 0.786 . . . . 0.0 109.31 179.999 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -130.7 -53.1 1.07 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.544 1.152 . . . . 0.0 110.299 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 2.9 mt-10 69.07 137.17 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.436 1.085 . . . . 0.0 110.338 -179.988 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 4.3 t30 -176.31 -68.82 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.477 1.111 . . . . 0.0 109.277 -179.982 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -108.55 171.07 7.63 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.446 1.091 . . . . 0.0 109.315 -179.998 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 21.8 mt-10 52.5 87.95 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.537 1.148 . . . . 0.0 110.336 -179.99 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -113.71 143.14 45.11 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.511 1.132 . . . . 0.0 109.316 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -95.42 128.89 42.64 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.468 1.105 . . . . 0.0 109.312 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . 0.447 ' O ' ' N ' ' A' ' 93' ' ' ILE . 2.5 m -129.08 130.34 68.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.461 1.101 . . . . 0.0 109.299 179.978 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 20' ' ' PHE . . . . . 0.566 ' CD2' ' OG1' ' A' ' 92' ' ' THR . 0.4 OUTLIER -107.25 115.08 29.55 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.517 1.136 . . . . 0.0 110.995 179.991 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 21' ' ' ILE . . . . . 0.457 HG21 ' CD2' ' A' ' 23' ' ' LEU . 14.6 mm -103.39 112.6 37.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.482 1.114 . . . . 0.0 109.275 179.974 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 33.5 t -105.08 137.46 42.81 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.516 1.135 . . . . 0.0 109.991 179.973 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . 0.469 HD11 ' CD2' ' A' ' 53' ' ' LEU . 3.4 mm? -122.23 60.81 0.98 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.486 1.116 . . . . 0.0 109.344 179.962 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 8.3 m -104.39 -31.58 2.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.488 1.118 . . . . 0.0 109.312 179.992 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -126.43 -148.76 7.16 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.499 1.124 . . . . 0.0 110.975 -179.968 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -48.72 177.14 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.447 0.734 . . . . 0.0 110.003 -179.979 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 15.8 mmt-85 65.07 123.85 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.512 1.133 . . . . 0.0 110.288 -179.968 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -132.44 41.09 1.53 Allowed Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.467 1.104 . . . . 0.0 111.006 -179.994 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER 64.57 108.72 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.529 0.782 . . . . 0.0 109.335 -179.978 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -108.92 27.71 12.52 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.533 1.146 . . . . 0.0 111.015 -179.95 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 31' ' ' CYS . . . . . 0.401 ' SG ' ' OG ' ' A' ' 54' ' ' SER . 28.5 p -120.63 146.67 46.15 Favored 'General case' 0 C--N 1.326 -0.441 0 N-CA-C 108.314 -0.995 . . . . 0.0 108.314 -179.963 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -105.11 140.38 38.37 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.513 1.133 . . . . 0.0 109.961 -179.95 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 6.6 pt -106.09 148.88 10.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.444 1.09 . . . . 0.0 109.289 -179.99 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 1.1 p -123.34 168.7 12.16 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.432 1.082 . . . . 0.0 110.04 -179.99 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 11.9 p -109.02 124.5 50.83 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.542 1.151 . . . . 0.0 109.971 179.999 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -74.23 163.24 54.48 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.502 1.126 . . . . 0.0 111.023 179.963 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 -170.98 0.86 Allowed 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.498 1.788 . . . . 0.0 111.013 179.979 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 5.5 tt -72.84 -30.14 31.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.506 1.128 . . . . 0.0 109.296 179.985 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 7.2 pt20 -77.6 -29.99 52.19 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.486 1.116 . . . . 0.0 110.318 -179.997 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . 0.455 ' N ' ' HD3' ' A' ' 41' ' ' PRO . 27.9 tttp -138.8 62.75 29.25 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.457 1.098 . . . . 0.0 109.262 -179.973 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 41' ' ' PRO . . . . . 0.455 ' HD3' ' N ' ' A' ' 40' ' ' LYS . 18.2 Cg_endo -75.05 145.63 31.5 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.476 1.777 . . . . 0.0 110.961 -179.988 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 155.85 -151.76 23.25 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.494 1.121 . . . . 0.0 111.042 179.985 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 43' ' ' ILE . . . . . 0.441 HG21 ' CD1' ' A' ' 65' ' ' ILE . 13.2 mm -134.32 116.12 21.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.527 0.78 . . . . 0.0 109.306 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 44' ' ' PHE . . . . . 0.589 ' CD2' ' HB2' ' A' ' 64' ' ' GLN . 1.4 m-85 -124.61 150.52 45.9 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.503 1.127 . . . . 0.0 111.026 179.984 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 45' ' ' ILE . . . . . 0.401 HG22 ' N ' ' A' ' 46' ' ' SER . 13.7 mt -75.63 136.6 24.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.482 1.114 . . . . 0.0 109.303 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 46' ' ' SER . . . . . 0.401 ' N ' HG22 ' A' ' 45' ' ' ILE . 3.1 p -100.03 -40.41 7.64 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.425 1.078 . . . . 0.0 109.999 179.982 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 57.3 t-80 -146.48 161.96 39.31 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.547 1.154 . . . . 0.0 109.608 179.989 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 75.0 t -145.08 116.68 2.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.578 1.174 . . . . 0.0 109.321 -179.981 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 12.9 mtpt -67.45 156.64 88.07 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.498 1.124 . . . . 0.0 109.299 179.988 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 122.88 7.47 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.448 1.762 . . . . 0.0 110.978 179.999 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 71.85 22.91 78.63 Favored Glycine 0 CA--C 1.531 1.056 0 O-C-N 124.47 1.106 . . . . 0.0 110.965 179.98 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 42.6 p -70.65 -173.2 0.72 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.53 0.782 . . . . 0.0 110.01 179.978 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . 0.469 ' CD2' HD11 ' A' ' 23' ' ' LEU . 11.9 tp -78.9 -16.01 57.59 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.468 1.105 . . . . 0.0 109.33 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 54' ' ' SER . . . . . 0.478 ' O ' ' CG2' ' A' ' 57' ' ' VAL . 0.0 OUTLIER -94.99 -39.51 10.14 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.489 1.118 . . . . 0.0 110.003 179.968 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -66.57 -40.52 89.03 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.456 1.097 . . . . 0.0 109.301 -179.998 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . 0.449 ' HG3' ' N ' ' A' ' 57' ' ' VAL . 6.8 pt-20 -54.39 -37.33 64.9 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.517 1.135 . . . . 0.0 110.286 -179.992 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 57' ' ' VAL . . . . . 0.488 ' CG2' ' HG ' ' A' ' 59' ' ' LEU . 13.5 m -82.5 -26.7 8.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.498 1.124 . . . . 0.0 109.305 179.996 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 108.26 37.82 2.06 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.46 1.1 . . . . 0.0 111.028 -179.963 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . 0.488 ' HG ' ' CG2' ' A' ' 57' ' ' VAL . 35.4 mt -93.34 142.07 27.73 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.486 0.757 . . . . 0.0 109.277 -179.988 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 29.5 mt-10 -144.11 173.24 11.91 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.506 1.129 . . . . 0.0 110.304 179.971 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 69.2 mt -59.69 131.86 24.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.533 1.146 . . . . 0.0 109.337 179.971 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 62' ' ' GLY . . . . . 0.45 ' O ' ' N ' ' A' ' 64' ' ' GLN . . . 114.98 -41.73 2.1 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.491 1.119 . . . . 0.0 110.975 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 84.4 m-20 -44.77 96.35 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.472 0.748 . . . . 0.0 109.338 -179.999 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 64' ' ' GLN . . . . . 0.589 ' HB2' ' CD2' ' A' ' 44' ' ' PHE . 48.3 tt0 -82.89 122.61 28.47 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.54 1.15 . . . . 0.0 110.314 -179.982 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 65' ' ' ILE . . . . . 0.588 ' CG2' ' CG2' ' A' ' 68' ' ' VAL . 2.5 mp -73.43 110.5 6.99 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.464 1.102 . . . . 0.0 109.262 -179.946 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 20.9 m -99.96 -22.36 4.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.476 1.11 . . . . 0.0 109.308 179.978 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . 0.425 ' HG2' ' N ' ' A' ' 68' ' ' VAL . 32.9 tt0 -152.88 153.9 33.99 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.51 1.131 . . . . 0.0 110.291 179.975 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 68' ' ' VAL . . . . . 0.596 ' HB ' ' CE1' ' A' ' 73' ' ' PHE . 85.6 t -152.79 114.7 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.498 1.124 . . . . 0.0 109.327 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 1.1 t-20 56.22 19.68 4.04 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.547 1.155 . . . . 0.0 109.332 -179.948 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 94.56 10.98 57.53 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.445 1.09 . . . . 0.0 110.986 179.986 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 71' ' ' VAL . . . . . 0.42 ' O ' ' HA ' ' A' ' 67' ' ' GLU . 63.8 t -90.54 138.97 18.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.478 0.752 . . . . 0.0 109.285 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 1.1 t70 -75.24 91.15 2.62 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.463 1.102 . . . . 0.0 109.265 -179.997 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 73' ' ' PHE . . . . . 0.603 ' CD1' ' CD1' ' A' ' 76' ' ' LEU . 3.0 m-85 -92.17 12.94 20.51 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.472 1.108 . . . . 0.0 111.003 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -60.72 -58.12 9.81 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.541 1.151 . . . . 0.0 110.019 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -118.97 59.48 0.83 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.467 1.105 . . . . 0.0 109.275 -179.998 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 76' ' ' LEU . . . . . 0.603 ' CD1' ' CD1' ' A' ' 73' ' ' PHE . 6.7 mt -94.91 -167.37 1.62 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.506 1.129 . . . . 0.0 109.31 179.971 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 45.1 t0 -132.0 170.84 14.36 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.466 1.103 . . . . 0.0 109.345 179.954 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 78' ' ' HIS . . . . . . . . . . . . . 63.4 t-80 -71.65 -7.23 46.61 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.519 1.137 . . . . 0.0 109.666 179.977 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -107.47 -38.05 6.03 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.478 1.111 . . . . 0.0 109.322 179.996 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 2.6 mm-40 -77.04 -37.38 54.93 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.51 1.131 . . . . 0.0 110.295 -179.98 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -72.48 -34.61 67.81 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.567 1.167 . . . . 0.0 109.329 179.97 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 82' ' ' VAL . . . . . 0.455 ' O ' ' N ' ' A' ' 86' ' ' LYS . 39.5 t -77.42 -42.56 30.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.459 1.1 . . . . 0.0 109.264 -179.985 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 40.5 t30 -60.28 -45.8 92.06 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.496 1.123 . . . . 0.0 109.296 179.984 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 76.7 t -70.54 -30.93 44.65 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.535 1.147 . . . . 0.0 109.288 179.997 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 85' ' ' LEU . . . . . 0.421 HD23 ' CG1' ' A' ' 68' ' ' VAL . 19.0 mt -75.46 -33.06 60.83 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.486 1.116 . . . . 0.0 109.293 -179.968 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 86' ' ' LYS . . . . . 0.455 ' N ' ' O ' ' A' ' 82' ' ' VAL . 0.3 OUTLIER -91.52 -1.72 57.42 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.507 1.129 . . . . 0.0 109.319 179.976 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 1.7 t -54.66 -68.25 0.2 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.505 1.128 . . . . 0.0 110.005 -179.983 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -122.48 179.52 4.56 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.452 1.095 . . . . 0.0 110.016 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 4.2 mmt180 -85.7 -57.24 3.13 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.504 1.128 . . . . 0.0 110.294 -179.995 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -80.88 107.59 13.82 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.463 1.102 . . . . 0.0 109.98 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 1.1 mt -131.95 142.56 49.66 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.549 1.156 . . . . 0.0 109.312 -179.986 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 92' ' ' THR . . . . . 0.566 ' OG1' ' CD2' ' A' ' 20' ' ' PHE . 1.1 m -102.37 101.74 12.01 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.424 1.077 . . . . 0.0 110.419 179.978 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 93' ' ' ILE . . . . . 0.447 ' N ' ' O ' ' A' ' 19' ' ' VAL . 19.4 mt -89.24 138.55 19.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.485 1.116 . . . . 0.0 109.301 -179.978 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -121.36 104.41 9.68 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.536 1.148 . . . . 0.0 110.03 179.984 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 1.1 pt -100.75 172.14 1.29 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.519 1.137 . . . . 0.0 109.306 -179.98 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 96' ' ' VAL . . . . . 0.49 ' O ' ' CG1' ' A' ' 96' ' ' VAL . 75.7 t -112.36 32.92 1.11 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.437 1.086 . . . . 0.0 109.288 179.97 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 97' ' ' ALA . . . . . 0.421 ' O ' ' O ' ' A' ' 96' ' ' VAL . . . 45.72 95.4 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.486 1.117 . . . . 0.0 109.287 179.936 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . 44.98 59.94 3.21 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.504 1.127 . . . . 0.0 109.25 179.996 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 99' ' ' ALA . . . . . 0.448 ' CB ' ' HB ' ' A' ' 96' ' ' VAL . . . -65.4 -68.38 0.37 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.509 1.131 . . . . 0.0 109.286 179.962 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . -101.57 57.01 0.68 Allowed Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.489 1.118 . . . . 0.0 110.998 -179.99 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -71.52 -20.15 62.08 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.492 0.76 . . . . 0.0 110.329 179.949 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -76.02 -14.54 60.22 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.509 1.131 . . . . 0.0 110.307 179.968 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 103' ' ' LEU . . . . . 0.413 HD13 ' CE2' ' A' ' 44' ' ' PHE . 26.2 mt -68.37 -16.64 64.0 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.475 1.109 . . . . 0.0 109.292 179.98 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 104' ' ' PHE . . . . . . . . . . . . . 58.4 m-85 -124.21 -49.19 1.82 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.481 1.113 . . . . 0.0 110.946 -179.956 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 105' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER 44.88 87.67 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.525 1.141 . . . . 0.0 110.968 179.97 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 106' ' ' THR . . . . . 0.414 HG23 ' N ' ' A' ' 107' ' ' ASP . 28.4 m 60.41 147.12 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.461 1.101 . . . . 0.0 110.409 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 107' ' ' ASP . . . . . 0.414 ' N ' HG23 ' A' ' 106' ' ' THR . 37.4 t0 -147.19 142.25 27.07 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.435 1.084 . . . . 0.0 109.33 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -165.46 137.19 4.05 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.457 1.098 . . . . 0.0 110.286 -179.956 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 109' ' ' SER . . . . . 0.462 ' HA ' ' CA ' ' A' ' 114' ' ' GLY . 0.2 OUTLIER 61.72 127.98 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.523 1.139 . . . . 0.0 109.958 179.957 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 171.68 -67.73 0.13 Allowed Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.538 1.149 . . . . 0.0 110.973 179.988 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 111' ' ' PRO . . . . . 0.4 ' O ' ' O ' ' A' ' 112' ' ' SER . 18.1 Cg_endo -75.02 55.06 3.84 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.458 1.768 . . . . 0.0 110.966 -179.977 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 112' ' ' SER . . . . . 0.406 ' O ' ' O ' ' A' ' 113' ' ' SER . 1.2 m 61.15 126.57 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.499 1.125 . . . . 0.0 109.966 179.942 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 113' ' ' SER . . . . . 0.406 ' O ' ' O ' ' A' ' 112' ' ' SER . 31.8 t 45.26 94.52 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.529 1.143 . . . . 0.0 110.001 179.968 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 114' ' ' GLY . . . . . 0.462 ' CA ' ' HA ' ' A' ' 109' ' ' SER . . . . . . . . 0 CA--C 1.53 1.026 0 O-C-N 124.467 1.104 . . . . 0.0 111.012 180.0 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.041 0 N-CA-C 110.962 -0.855 . . . . 0.0 110.962 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -66.83 139.69 57.78 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.502 0.766 . . . . 0.0 110.0 179.984 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.6 t -146.09 92.65 2.22 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.512 1.132 . . . . 0.0 110.028 -179.96 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -52.18 119.91 10.05 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.551 1.157 . . . . 0.0 111.019 -179.955 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -164.45 120.82 1.56 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.49 0.759 . . . . 0.0 109.963 -179.975 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -121.37 28.41 7.78 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.503 1.127 . . . . 0.0 109.998 179.977 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -126.21 151.32 17.89 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.449 1.093 . . . . 0.0 110.989 179.991 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -136.62 155.16 76.95 Favored Pre-proline 0 C--N 1.325 -0.457 0 O-C-N 124.503 0.767 . . . . 0.0 109.991 179.972 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 -66.37 0.02 OUTLIER 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.482 1.78 . . . . 0.0 110.985 -179.969 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 117.83 63.06 0.31 Allowed Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.442 1.089 . . . . 0.0 111.016 179.989 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 11' ' ' ASN . . . . . 0.444 ' N ' ' OD1' ' A' ' 11' ' ' ASN . 6.2 p-10 -176.79 101.42 0.06 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.532 0.783 . . . . 0.0 109.309 -179.977 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 18.7 mmt180 -117.15 134.69 54.47 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.488 1.117 . . . . 0.0 110.277 -179.968 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 1.3 mt-10 -128.78 107.82 9.97 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.453 1.096 . . . . 0.0 110.313 179.982 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 1.1 t30 175.67 -67.31 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.496 1.122 . . . . 0.0 109.358 -179.952 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -123.89 117.68 25.39 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.517 1.136 . . . . 0.0 109.343 179.947 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 11.3 mt-10 67.19 110.18 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.507 1.129 . . . . 0.0 110.312 -179.98 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . 0.459 ' CE ' HD11 ' A' ' 95' ' ' ILE . 0.1 OUTLIER -130.0 147.46 51.76 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.46 1.1 . . . . 0.0 109.368 179.999 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . 0.458 ' HD3' ' CG2' ' A' ' 92' ' ' THR . 0.0 OUTLIER -98.83 118.65 36.06 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.481 1.113 . . . . 0.0 109.266 -179.923 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 0.7 OUTLIER -126.16 123.46 63.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.491 1.12 . . . . 0.0 109.285 -179.969 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 20' ' ' PHE . . . . . 0.59 ' CE2' ' OG1' ' A' ' 92' ' ' THR . 0.1 OUTLIER -106.81 113.64 27.26 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.489 1.118 . . . . 0.0 111.001 179.982 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 24.8 mm -95.95 127.11 48.3 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.461 1.101 . . . . 0.0 109.345 179.988 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -121.03 123.53 42.6 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.526 1.141 . . . . 0.0 110.009 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -93.92 50.22 1.41 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.476 1.11 . . . . 0.0 109.311 -179.995 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 2.2 m -109.81 151.87 11.97 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.52 1.138 . . . . 0.0 109.292 -179.938 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 68.8 -170.6 39.86 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.506 1.129 . . . . 0.0 111.03 179.987 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -77.09 78.85 3.63 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.497 0.763 . . . . 0.0 109.97 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 6.8 mtt-85 -163.72 130.0 3.17 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.45 1.094 . . . . 0.0 110.326 179.954 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -131.17 134.85 7.91 Favored Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.556 1.16 . . . . 0.0 111.021 -179.996 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . 0.439 ' CG ' ' SG ' ' A' ' 31' ' ' CYS . 1.1 tp -40.16 148.35 0.08 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.457 0.739 . . . . 0.0 109.306 179.984 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -141.22 37.86 1.59 Allowed Glycine 0 CA--C 1.529 0.959 0 O-C-N 124.456 1.098 . . . . 0.0 111.01 179.976 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 31' ' ' CYS . . . . . 0.439 ' SG ' ' CG ' ' A' ' 29' ' ' LEU . 9.1 p -125.91 142.19 51.63 Favored 'General case' 0 C--N 1.325 -0.473 0 N-CA-C 108.313 -0.995 . . . . 0.0 108.313 179.972 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -101.04 138.85 37.54 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.497 1.123 . . . . 0.0 109.959 -179.963 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 9.6 pt -115.12 145.08 21.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.532 1.145 . . . . 0.0 109.293 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 1.3 t -130.59 169.14 16.0 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.523 1.14 . . . . 0.0 110.015 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 36.2 p -105.17 131.62 52.42 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.444 1.09 . . . . 0.0 110.029 179.973 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -76.57 170.47 54.96 Favored Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.467 1.104 . . . . 0.0 111.026 179.974 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 -174.15 1.84 Allowed 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.48 1.779 . . . . 0.0 111.004 -179.969 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 0.7 OUTLIER -71.0 -29.81 38.66 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.484 1.115 . . . . 0.0 109.302 -179.969 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 6.7 pt20 -77.27 -30.36 54.29 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.486 1.116 . . . . 0.0 110.304 -179.99 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . 0.454 ' N ' ' HD3' ' A' ' 41' ' ' PRO . 24.3 tttp -139.0 62.43 26.29 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.504 1.127 . . . . 0.0 109.331 179.993 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 41' ' ' PRO . . . . . 0.454 ' HD3' ' N ' ' A' ' 40' ' ' LYS . 18.6 Cg_endo -74.92 145.31 31.6 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.502 1.791 . . . . 0.0 111.025 179.969 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 154.6 -154.81 25.78 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.502 1.126 . . . . 0.0 110.963 179.962 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 43' ' ' ILE . . . . . 0.414 HG22 ' CD1' ' A' ' 65' ' ' ILE . 6.7 mm -127.12 118.15 49.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.487 0.757 . . . . 0.0 109.333 -179.966 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 44' ' ' PHE . . . . . 0.567 ' CD2' ' HB2' ' A' ' 64' ' ' GLN . 2.7 m-85 -128.76 137.55 51.61 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.518 1.136 . . . . 0.0 111.03 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 45' ' ' ILE . . . . . 0.594 ' O ' ' CZ ' ' A' ' 104' ' ' PHE . 21.6 mt -63.92 140.28 19.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.581 1.176 . . . . 0.0 109.275 -179.955 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 46' ' ' SER . . . . . 0.508 ' HA ' ' CE1' ' A' ' 104' ' ' PHE . 0.0 OUTLIER -107.1 -34.32 7.19 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.494 1.121 . . . . 0.0 109.958 179.99 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 47' ' ' HIS . . . . . 0.41 ' HD1' ' N ' ' A' ' 48' ' ' VAL . 24.6 t-80 -161.06 147.29 14.69 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.483 1.114 . . . . 0.0 109.574 179.997 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 48' ' ' VAL . . . . . 0.443 ' CG2' ' HB2' ' A' ' 54' ' ' SER . 1.3 p -150.23 127.4 2.36 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.527 0 O-C-N 124.515 1.135 . . . . 0.0 109.311 179.991 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -67.58 154.94 92.34 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.509 1.131 . . . . 0.0 109.282 -179.991 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 -21.87 15.47 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.507 1.793 . . . . 0.0 111.002 -179.985 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -118.68 44.59 1.38 Allowed Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.504 1.128 . . . . 0.0 110.981 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 90.1 p -106.79 -172.06 2.01 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.475 0.75 . . . . 0.0 109.967 -179.963 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . 0.423 ' C ' ' HG2' ' A' ' 56' ' ' GLU . 0.5 OUTLIER -81.69 -10.17 59.46 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.506 1.128 . . . . 0.0 109.321 179.97 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 54' ' ' SER . . . . . 0.516 ' O ' ' CG2' ' A' ' 57' ' ' VAL . 0.7 OUTLIER -95.61 -47.47 6.21 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.517 1.136 . . . . 0.0 109.999 179.986 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -56.05 -37.14 68.86 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.452 1.095 . . . . 0.0 109.323 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . 0.45 ' HG3' ' N ' ' A' ' 57' ' ' VAL . 2.7 pt-20 -57.4 -31.82 66.21 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.507 1.13 . . . . 0.0 110.297 179.962 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 57' ' ' VAL . . . . . 0.516 ' CG2' ' O ' ' A' ' 54' ' ' SER . 3.6 m -89.12 -22.43 6.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.457 1.098 . . . . 0.0 109.297 -179.968 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 102.45 32.51 4.83 Favored Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.519 1.137 . . . . 0.0 110.973 179.961 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . 0.472 ' CD1' ' HB3' ' A' ' 54' ' ' SER . 12.5 mt -80.0 141.99 35.42 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.52 0.777 . . . . 0.0 109.326 179.935 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 17.0 mt-10 -142.91 172.97 11.98 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.484 1.115 . . . . 0.0 110.289 -179.966 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 25.1 mt -67.93 129.46 32.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.513 1.133 . . . . 0.0 109.263 179.976 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 116.81 -21.33 11.34 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.51 1.131 . . . . 0.0 111.035 179.98 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 74.1 m-20 -65.98 98.33 0.42 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.507 0.769 . . . . 0.0 109.333 179.967 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 64' ' ' GLN . . . . . 0.567 ' HB2' ' CD2' ' A' ' 44' ' ' PHE . 49.3 tt0 -83.08 120.66 26.04 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.554 1.159 . . . . 0.0 110.261 -179.951 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 65' ' ' ILE . . . . . 0.611 ' CG2' ' CG2' ' A' ' 68' ' ' VAL . 28.5 mt -71.72 106.2 2.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.474 1.109 . . . . 0.0 109.319 179.984 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 15.0 m -95.36 -23.37 5.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.472 1.108 . . . . 0.0 109.29 -179.99 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . 0.418 ' HG2' ' N ' ' A' ' 68' ' ' VAL . 33.3 tt0 -153.16 152.81 31.67 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.512 1.132 . . . . 0.0 110.289 179.991 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 68' ' ' VAL . . . . . 0.611 ' CG2' ' CG2' ' A' ' 65' ' ' ILE . 87.6 t -148.67 114.39 0.8 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.529 1.143 . . . . 0.0 109.269 -179.973 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 1.5 t-20 57.8 18.05 4.61 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.533 1.146 . . . . 0.0 109.287 179.992 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 99.73 2.67 56.28 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.561 1.163 . . . . 0.0 111.006 179.98 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 71' ' ' VAL . . . . . 0.464 ' CG2' ' O ' ' A' ' 68' ' ' VAL . 48.1 t -77.35 150.02 5.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.501 0.765 . . . . 0.0 109.285 -179.959 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -87.96 88.43 7.65 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.53 1.144 . . . . 0.0 109.317 -179.968 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 73' ' ' PHE . . . . . 0.643 ' CD1' ' CD1' ' A' ' 76' ' ' LEU . 3.2 m-85 -87.99 38.74 0.86 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.525 1.141 . . . . 0.0 111.013 -179.988 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 12.1 t -75.13 -61.67 1.81 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.452 1.095 . . . . 0.0 110.036 179.985 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 1.2 p30 -121.52 48.54 1.66 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.519 1.137 . . . . 0.0 109.274 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 76' ' ' LEU . . . . . 0.643 ' CD1' ' CD1' ' A' ' 73' ' ' PHE . 6.5 mt -76.6 -167.04 0.74 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.488 1.118 . . . . 0.0 109.28 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 39.1 t70 -136.73 171.12 14.97 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.524 1.14 . . . . 0.0 109.276 -179.982 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 78' ' ' HIS . . . . . . . . . . . . . 63.3 t-80 -71.91 -7.17 46.97 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.497 1.123 . . . . 0.0 109.566 -179.975 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 18.8 mttt -107.29 -34.93 6.95 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.551 1.157 . . . . 0.0 109.288 179.998 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 2.3 mm-40 -80.41 -37.64 31.76 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.501 1.126 . . . . 0.0 110.321 179.99 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 81' ' ' ALA . . . . . 0.418 ' O ' ' CD1' ' A' ' 85' ' ' LEU . . . -72.99 -28.7 62.53 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.463 1.102 . . . . 0.0 109.321 179.983 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 36.1 t -81.46 -40.27 17.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.503 1.127 . . . . 0.0 109.299 -179.975 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 83' ' ' ASN . . . . . 0.451 ' HA ' ' CE ' ' A' ' 86' ' ' LYS . 2.1 t30 -61.69 -42.89 99.55 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.458 1.099 . . . . 0.0 109.325 179.935 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 84' ' ' VAL . . . . . 0.46 ' CG1' HG22 ' A' ' 71' ' ' VAL . 66.1 t -71.55 -32.31 45.49 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.499 1.125 . . . . 0.0 109.306 -179.983 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 85' ' ' LEU . . . . . 0.418 ' CD1' ' O ' ' A' ' 81' ' ' ALA . 24.9 mt -75.14 -34.14 61.61 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.487 1.117 . . . . 0.0 109.279 -179.991 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 86' ' ' LYS . . . . . 0.451 ' CE ' ' HA ' ' A' ' 83' ' ' ASN . 1.4 ptpt -89.41 -4.19 58.11 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.478 1.112 . . . . 0.0 109.288 -179.959 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 1.5 t -52.75 -66.47 0.38 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.52 1.137 . . . . 0.0 109.973 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 1.1 t -123.54 179.96 4.57 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.502 1.126 . . . . 0.0 109.996 -179.969 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 4.6 mmt180 -81.63 -56.18 4.18 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.52 1.138 . . . . 0.0 110.298 179.965 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 3.6 m -86.02 121.28 28.41 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.52 1.138 . . . . 0.0 109.977 -179.958 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 91' ' ' LEU . . . . . 0.403 ' O ' ' CD1' ' A' ' 20' ' ' PHE . 1.2 mt -138.52 146.15 41.6 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.535 1.147 . . . . 0.0 109.321 179.962 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 92' ' ' THR . . . . . 0.59 ' OG1' ' CE2' ' A' ' 20' ' ' PHE . 76.2 m -104.32 101.92 11.62 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.526 1.141 . . . . 0.0 110.398 -179.986 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 13.3 mt -89.95 133.6 31.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.503 1.127 . . . . 0.0 109.277 -179.973 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -117.95 104.29 10.76 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.491 1.12 . . . . 0.0 109.98 -179.98 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 95' ' ' ILE . . . . . 0.459 HD11 ' CE ' ' A' ' 17' ' ' LYS . 1.4 pt -104.22 173.86 1.3 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.54 1.15 . . . . 0.0 109.319 179.992 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 96' ' ' VAL . . . . . 0.495 ' O ' ' CG1' ' A' ' 96' ' ' VAL . 74.3 t -112.45 33.97 0.97 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.48 1.112 . . . . 0.0 109.275 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 97' ' ' ALA . . . . . 0.417 ' O ' ' O ' ' A' ' 96' ' ' VAL . . . 43.41 93.25 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.473 1.108 . . . . 0.0 109.27 179.987 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 98' ' ' ALA . . . . . 0.546 ' CB ' ' NH1' ' A' ' 101' ' ' ARG . . . 51.12 56.65 7.65 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.486 1.116 . . . . 0.0 109.324 -179.979 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 99' ' ' ALA . . . . . 0.483 ' CB ' ' HB ' ' A' ' 96' ' ' VAL . . . -61.63 -67.45 0.41 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.517 1.135 . . . . 0.0 109.3 -179.959 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . -106.65 60.33 0.36 Allowed Glycine 0 CA--C 1.531 1.041 0 O-C-N 124.527 1.142 . . . . 0.0 111.012 179.979 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 101' ' ' ARG . . . . . 0.546 ' NH1' ' CB ' ' A' ' 98' ' ' ALA . 0.0 OUTLIER -70.81 -24.77 62.62 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.513 0.772 . . . . 0.0 110.316 179.983 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -71.4 -5.7 34.68 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.532 1.145 . . . . 0.0 110.261 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 103' ' ' LEU . . . . . 0.466 HD12 ' CE2' ' A' ' 44' ' ' PHE . 30.6 mt -79.16 -17.3 55.21 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.541 1.15 . . . . 0.0 109.322 179.978 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 104' ' ' PHE . . . . . 0.594 ' CZ ' ' O ' ' A' ' 45' ' ' ILE . 52.3 m-85 -122.81 48.09 1.84 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.451 1.094 . . . . 0.0 111.041 179.973 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 105' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -67.9 -74.6 0.12 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.512 1.133 . . . . 0.0 110.993 -179.972 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 13.2 t -59.38 168.77 1.4 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.507 1.129 . . . . 0.0 110.399 179.98 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 8.3 t70 -98.09 173.04 7.23 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.492 1.12 . . . . 0.0 109.316 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 4.0 ttt180 -168.9 106.84 0.44 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.499 1.124 . . . . 0.0 110.303 179.991 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 39.6 t -103.01 124.54 48.71 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.529 1.143 . . . . 0.0 110.006 179.974 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . -105.98 146.49 16.08 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.52 1.137 . . . . 0.0 111.019 179.969 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 111' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.92 -177.48 3.48 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.534 1.807 . . . . 0.0 111.037 179.972 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 28.8 t -126.99 145.93 50.53 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.515 1.135 . . . . 0.0 109.995 179.982 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -55.97 133.09 51.4 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.498 1.124 . . . . 0.0 110.025 179.977 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.975 0 O-C-N 124.503 1.127 . . . . 0.0 110.987 -179.98 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.996 0 N-CA-C 110.979 -0.848 . . . . 0.0 110.979 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -80.92 100.15 8.74 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.496 0.762 . . . . 0.0 109.984 179.983 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -168.77 -58.62 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.471 1.107 . . . . 0.0 109.994 179.962 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 46.01 79.5 0.06 OUTLIER Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.466 1.103 . . . . 0.0 110.985 -179.954 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 28.7 t -117.78 83.02 1.92 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.518 0.775 . . . . 0.0 109.995 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 2.4 t -106.34 29.15 7.08 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.483 1.115 . . . . 0.0 109.967 -179.988 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 124.76 -73.21 0.42 Allowed Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.488 1.117 . . . . 0.0 111.025 -179.98 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 16.3 m -128.49 152.59 78.6 Favored Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.455 0.738 . . . . 0.0 110.025 179.973 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 127.12 10.44 Favored 'Trans proline' 0 C--N 1.36 1.132 0 O-C-N 124.545 1.813 . . . . 0.0 111.001 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 152.7 91.89 0.09 OUTLIER Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.477 1.111 . . . . 0.0 110.964 -179.996 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 3.4 t-20 -157.35 109.68 2.43 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.495 0.762 . . . . 0.0 109.32 179.98 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -176.1 108.72 0.09 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.52 1.137 . . . . 0.0 110.256 -179.969 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 42.2 tt0 -173.4 123.83 0.39 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.495 1.122 . . . . 0.0 110.304 179.976 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 2.8 t-20 -178.7 -61.77 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.509 1.131 . . . . 0.0 109.325 179.976 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -98.97 171.06 8.28 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.486 1.116 . . . . 0.0 109.273 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 17.6 mt-10 46.22 91.17 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.52 1.138 . . . . 0.0 110.29 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . 0.41 ' CE ' HD12 ' A' ' 95' ' ' ILE . 0.6 OUTLIER -112.29 154.78 25.14 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.537 1.148 . . . . 0.0 109.315 179.962 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -105.27 118.76 37.37 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.495 1.122 . . . . 0.0 109.263 -179.956 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . 0.415 ' O ' ' N ' ' A' ' 93' ' ' ILE . 0.0 OUTLIER -120.12 124.6 73.0 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.438 1.086 . . . . 0.0 109.254 -179.988 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 20' ' ' PHE . . . . . 0.479 ' CD1' ' O ' ' A' ' 91' ' ' LEU . 0.1 OUTLIER -101.73 112.11 24.59 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.466 1.104 . . . . 0.0 111.045 179.938 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 20.2 mm -99.11 121.65 49.95 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.507 1.129 . . . . 0.0 109.348 -179.997 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 12.3 t -110.93 140.75 45.16 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.491 1.12 . . . . 0.0 109.991 -179.983 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -113.25 51.45 0.84 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.497 1.123 . . . . 0.0 109.27 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 3.4 m -108.61 152.44 10.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.542 1.151 . . . . 0.0 109.334 179.971 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 69.45 -167.54 47.1 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.571 1.169 . . . . 0.0 111.003 -179.941 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 6.1 t -77.85 62.39 2.67 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.51 0.771 . . . . 0.0 110.015 179.995 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . 0.432 ' NH1' ' OE1' ' A' ' 56' ' ' GLU . 11.3 mtt180 -137.32 136.16 37.72 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.47 1.106 . . . . 0.0 110.298 179.988 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -140.58 131.82 5.17 Favored Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.557 1.161 . . . . 0.0 110.99 179.988 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 2.2 tp -40.48 128.21 2.43 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.521 0.777 . . . . 0.0 109.303 -179.99 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -118.83 28.32 6.75 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.516 1.135 . . . . 0.0 111.017 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 31' ' ' CYS . . . . . 0.431 ' CB ' HG23 ' A' ' 48' ' ' VAL . 28.7 p -121.56 147.4 45.87 Favored 'General case' 0 C--N 1.325 -0.48 0 N-CA-C 108.319 -0.993 . . . . 0.0 108.319 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -111.14 141.35 44.76 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.55 1.156 . . . . 0.0 109.987 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 33' ' ' ILE . . . . . 0.458 HD11 ' CG2' ' A' ' 82' ' ' VAL . 11.3 pt -109.4 145.24 16.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.453 1.095 . . . . 0.0 109.276 -179.966 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 48.5 m -126.86 152.58 46.83 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.523 1.14 . . . . 0.0 109.999 -179.999 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 11.2 p -80.19 150.24 30.21 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.497 1.123 . . . . 0.0 109.968 -179.977 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -103.21 163.27 15.82 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.54 1.15 . . . . 0.0 110.977 -179.966 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.04 -170.2 0.75 Allowed 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.463 1.77 . . . . 0.0 111.007 179.963 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 5.5 tt -74.04 -29.75 26.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.458 1.099 . . . . 0.0 109.307 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 11.8 pt20 -79.35 -28.66 42.03 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.522 1.139 . . . . 0.0 110.288 179.977 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . 0.476 ' N ' ' HD3' ' A' ' 41' ' ' PRO . 0.0 OUTLIER -136.41 61.56 38.82 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.541 1.151 . . . . 0.0 109.302 179.984 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 41' ' ' PRO . . . . . 0.476 ' HD3' ' N ' ' A' ' 40' ' ' LYS . 18.3 Cg_endo -75.0 146.64 32.88 Favored 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.479 1.778 . . . . 0.0 111.0 179.988 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 138.83 -164.67 25.74 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.523 1.139 . . . . 0.0 111.017 179.998 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 43' ' ' ILE . . . . . 0.477 ' O ' ' CG ' ' A' ' 64' ' ' GLN . 30.3 mm -107.84 125.93 64.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.527 0.78 . . . . 0.0 109.296 179.981 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 44' ' ' PHE . . . . . 0.571 ' CD2' ' HB2' ' A' ' 64' ' ' GLN . 19.4 m-85 -133.55 128.7 35.82 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.523 1.139 . . . . 0.0 111.03 179.956 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 45' ' ' ILE . . . . . 0.58 ' O ' ' CE2' ' A' ' 104' ' ' PHE . 5.1 mt -57.7 151.97 3.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.46 1.1 . . . . 0.0 109.249 -179.982 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 5.4 p -120.49 -40.87 2.63 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.468 1.105 . . . . 0.0 110.042 179.961 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 65.3 t-80 -146.72 157.42 43.69 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.517 1.136 . . . . 0.0 109.556 179.986 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 48' ' ' VAL . . . . . 0.431 HG23 ' CB ' ' A' ' 31' ' ' CYS . 37.4 t -143.35 120.16 5.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.457 1.098 . . . . 0.0 109.304 179.973 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 21.3 mttt -67.75 156.53 88.92 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.496 1.123 . . . . 0.0 109.319 179.96 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.07 120.12 5.91 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.439 1.758 . . . . 0.0 110.963 -179.968 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 73.73 20.96 79.81 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.511 1.132 . . . . 0.0 111.015 -179.977 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 1.3 p -70.1 -157.81 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.526 0.78 . . . . 0.0 109.994 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . 0.474 ' O ' ' CG ' ' A' ' 56' ' ' GLU . 0.0 OUTLIER -82.98 -27.08 30.71 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.573 1.171 . . . . 0.0 109.335 179.978 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 54' ' ' SER . . . . . 0.465 ' CB ' ' HB2' ' A' ' 59' ' ' LEU . 0.0 OUTLIER -94.61 -28.86 15.16 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.527 1.142 . . . . 0.0 110.03 179.966 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -73.82 -10.83 60.07 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.5 1.125 . . . . 0.0 109.294 -179.996 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . 0.474 ' CG ' ' O ' ' A' ' 53' ' ' LEU . 2.9 pt-20 -90.59 -34.56 15.44 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.522 1.139 . . . . 0.0 110.286 179.993 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 57' ' ' VAL . . . . . 0.411 HG23 ' N ' ' A' ' 58' ' ' GLY . 2.2 m -84.79 -23.86 7.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.508 1.13 . . . . 0.0 109.28 -179.988 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 58' ' ' GLY . . . . . 0.411 ' N ' HG23 ' A' ' 57' ' ' VAL . . . 106.71 23.97 6.91 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.501 1.126 . . . . 0.0 111.003 -179.977 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . 0.465 ' HB2' ' CB ' ' A' ' 54' ' ' SER . 13.5 mt -81.08 137.61 35.99 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.508 0.77 . . . . 0.0 109.325 179.97 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 19.5 mt-10 -140.53 173.07 11.86 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.548 1.155 . . . . 0.0 110.328 179.953 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 61' ' ' ILE . . . . . 0.425 HG21 ' CD2' ' A' ' 104' ' ' PHE . 67.1 mt -56.4 130.7 19.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.521 1.138 . . . . 0.0 109.302 179.962 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 116.37 -36.53 3.76 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.511 1.132 . . . . 0.0 110.98 180.0 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . 0.418 ' OD2' ' CD2' ' A' ' 59' ' ' LEU . 82.1 m-20 -56.15 98.56 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.484 0.755 . . . . 0.0 109.326 -179.981 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 64' ' ' GLN . . . . . 0.571 ' HB2' ' CD2' ' A' ' 44' ' ' PHE . 4.7 tt0 -83.47 134.48 34.85 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.523 1.14 . . . . 0.0 110.319 -179.986 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 65' ' ' ILE . . . . . 0.606 ' CG2' ' CG2' ' A' ' 68' ' ' VAL . 26.6 mt -87.11 110.64 20.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.485 1.116 . . . . 0.0 109.307 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 17.3 m -102.08 -22.19 4.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.493 1.12 . . . . 0.0 109.352 179.947 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . 0.416 ' HG2' ' N ' ' A' ' 68' ' ' VAL . 25.0 tt0 -153.05 147.13 25.52 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.519 1.137 . . . . 0.0 110.281 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 68' ' ' VAL . . . . . 0.606 ' CG2' ' CG2' ' A' ' 65' ' ' ILE . 98.5 t -145.73 129.11 10.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.491 1.12 . . . . 0.0 109.285 -179.967 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 1.1 t-20 43.92 31.8 0.54 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.506 1.129 . . . . 0.0 109.32 179.971 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 77.66 41.08 20.64 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.499 1.124 . . . . 0.0 111.039 -179.928 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 71' ' ' VAL . . . . . 0.495 ' CG2' ' O ' ' A' ' 68' ' ' VAL . 64.2 t -115.46 157.51 16.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.494 0.761 . . . . 0.0 109.308 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 2.0 t0 -91.51 88.69 6.89 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.51 1.131 . . . . 0.0 109.325 179.975 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 73' ' ' PHE . . . . . 0.64 ' CD1' ' CD1' ' A' ' 76' ' ' LEU . 3.3 m-85 -90.78 21.72 3.95 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.467 1.104 . . . . 0.0 110.96 -179.963 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -74.79 -50.65 16.47 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.535 1.147 . . . . 0.0 109.976 -179.977 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 66.4 m-80 -119.64 50.22 1.28 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.469 1.105 . . . . 0.0 109.293 179.985 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 76' ' ' LEU . . . . . 0.64 ' CD1' ' CD1' ' A' ' 73' ' ' PHE . 7.0 mt -92.58 -167.43 1.75 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.506 1.129 . . . . 0.0 109.31 179.976 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 28.1 t70 -133.99 170.92 14.92 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.499 1.124 . . . . 0.0 109.339 179.982 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 78' ' ' HIS . . . . . . . . . . . . . 37.9 t-80 -70.61 -7.19 42.27 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.497 1.123 . . . . 0.0 109.566 -179.96 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -107.72 -39.24 5.64 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.498 1.124 . . . . 0.0 109.285 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 80' ' ' GLU . . . . . 0.422 ' O ' ' CG2' ' A' ' 84' ' ' VAL . 5.1 mt-10 -75.94 -41.02 52.88 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.531 1.144 . . . . 0.0 110.3 179.988 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 81' ' ' ALA . . . . . 0.439 ' CB ' HG13 ' A' ' 43' ' ' ILE . . . -66.07 -24.11 66.66 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.481 1.113 . . . . 0.0 109.342 179.988 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 82' ' ' VAL . . . . . 0.491 ' CG1' ' CE ' ' A' ' 86' ' ' LYS . 35.5 t -89.92 -50.33 13.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.526 1.141 . . . . 0.0 109.265 179.974 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 2.0 m-20 -50.01 -41.2 46.71 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.516 1.135 . . . . 0.0 109.267 -179.957 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 84' ' ' VAL . . . . . 0.422 ' CG2' ' O ' ' A' ' 80' ' ' GLU . 75.4 t -65.92 -25.11 35.36 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.496 1.122 . . . . 0.0 109.294 -179.969 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 85' ' ' LEU . . . . . 0.464 ' N ' ' O ' ' A' ' 82' ' ' VAL . 55.7 mt -80.75 -34.63 34.19 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.542 1.152 . . . . 0.0 109.298 -179.975 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 86' ' ' LYS . . . . . 0.491 ' CE ' ' CG1' ' A' ' 82' ' ' VAL . 4.0 mttm -74.11 -24.93 59.52 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.517 1.136 . . . . 0.0 109.316 179.984 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 87' ' ' SER . . . . . 0.444 ' C ' ' O ' ' A' ' 86' ' ' LYS . 15.1 t -35.3 -70.78 0.08 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.522 1.139 . . . . 0.0 110.01 179.978 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -125.82 -171.58 2.41 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.46 1.1 . . . . 0.0 109.966 -179.956 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 4.2 mmt180 -93.93 -52.53 4.38 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.457 1.098 . . . . 0.0 110.315 -179.998 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -86.65 109.74 19.38 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.435 1.084 . . . . 0.0 109.99 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 91' ' ' LEU . . . . . 0.479 ' O ' ' CD1' ' A' ' 20' ' ' PHE . 1.1 mp -128.53 153.75 46.86 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.489 1.118 . . . . 0.0 109.346 179.965 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 3.3 m -110.28 100.03 8.97 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.501 1.125 . . . . 0.0 110.393 -179.967 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 93' ' ' ILE . . . . . 0.415 ' N ' ' O ' ' A' ' 19' ' ' VAL . 11.5 mt -89.56 132.17 34.97 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.451 1.094 . . . . 0.0 109.316 179.985 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -111.7 101.44 9.81 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.478 1.111 . . . . 0.0 110.001 -179.988 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 95' ' ' ILE . . . . . 0.41 HD12 ' CE ' ' A' ' 17' ' ' LYS . 1.1 pt -100.59 166.68 2.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.573 1.171 . . . . 0.0 109.253 -179.981 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 96' ' ' VAL . . . . . 0.492 ' O ' ' CG1' ' A' ' 96' ' ' VAL . 74.4 t -108.33 32.85 0.79 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.547 1.154 . . . . 0.0 109.287 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . 46.09 94.02 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.512 1.133 . . . . 0.0 109.33 179.962 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . 48.42 56.89 6.84 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.491 1.119 . . . . 0.0 109.242 179.99 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 99' ' ' ALA . . . . . 0.432 ' CB ' ' HB ' ' A' ' 96' ' ' VAL . . . -60.28 -74.69 0.07 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.488 1.118 . . . . 0.0 109.34 179.939 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . -97.81 55.38 1.18 Allowed Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.497 1.123 . . . . 0.0 111.062 179.949 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -63.82 -42.33 97.69 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.468 0.746 . . . . 0.0 110.279 -179.96 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 7.9 pt-20 -42.44 -35.48 1.05 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.468 1.105 . . . . 0.0 110.283 -179.966 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 103' ' ' LEU . . . . . 0.561 HD11 ' CD2' ' A' ' 44' ' ' PHE . 73.5 mt -46.39 -43.57 16.4 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.53 1.144 . . . . 0.0 109.246 -179.988 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 104' ' ' PHE . . . . . 0.58 ' CE2' ' O ' ' A' ' 45' ' ' ILE . 6.1 m-85 -113.13 61.76 0.64 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.507 1.129 . . . . 0.0 111.021 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 105' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -104.82 50.72 0.78 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.487 1.117 . . . . 0.0 111.028 179.973 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 13.2 t -133.68 160.05 38.69 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.451 1.094 . . . . 0.0 110.411 179.992 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -102.69 -50.76 3.47 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.47 1.106 . . . . 0.0 109.337 179.985 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 1.9 mmt85 -45.67 143.96 1.82 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.464 1.103 . . . . 0.0 110.294 -179.971 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 3.8 t -160.28 -56.9 0.06 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.526 1.141 . . . . 0.0 110.01 -179.97 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 156.87 145.23 4.14 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.527 1.142 . . . . 0.0 110.976 179.985 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 111' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 56.72 4.33 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.464 1.77 . . . . 0.0 110.994 179.968 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 41.51 79.57 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.482 1.114 . . . . 0.0 110.011 180.0 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 16.1 m -40.68 -64.85 0.48 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.461 1.1 . . . . 0.0 110.034 -179.981 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.017 0 O-C-N 124.511 1.132 . . . . 0.0 110.969 -179.989 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.993 0 N-CA-C 110.987 -0.845 . . . . 0.0 110.987 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -178.55 134.69 0.14 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.495 0.762 . . . . 0.0 109.984 -179.982 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER 179.12 167.7 0.98 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.448 1.092 . . . . 0.0 109.998 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 146.34 98.71 0.23 Allowed Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.507 1.13 . . . . 0.0 110.971 179.951 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 4.2 t 175.21 107.73 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.516 0.774 . . . . 0.0 110.006 179.97 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -98.59 -28.29 13.63 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.516 1.135 . . . . 0.0 110.003 -179.988 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 48.6 97.61 0.01 OUTLIER Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.525 1.141 . . . . 0.0 111.031 -179.998 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -107.14 135.78 19.57 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.556 0.798 . . . . 0.0 109.999 179.984 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.97 178.68 6.93 Favored 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.5 1.789 . . . . 0.0 111.025 179.948 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 124.89 123.62 2.74 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.481 1.113 . . . . 0.0 110.964 179.962 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 72.6 m-80 -163.35 124.69 2.41 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.497 0.763 . . . . 0.0 109.32 179.954 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 4.3 mtp180 -177.11 140.68 0.31 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.524 1.14 . . . . 0.0 110.296 -179.979 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 1.8 mt-10 -176.92 141.87 0.36 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.502 1.126 . . . . 0.0 110.331 179.952 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER 171.51 -58.36 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.523 1.14 . . . . 0.0 109.344 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 4.1 mttt -85.19 170.59 12.72 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.526 1.141 . . . . 0.0 109.301 179.973 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 17.9 mt-10 49.01 95.41 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.438 1.086 . . . . 0.0 110.279 179.97 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . 0.449 ' CE ' HD13 ' A' ' 95' ' ' ILE . 0.6 OUTLIER -118.57 146.73 44.37 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.519 1.137 . . . . 0.0 109.295 179.995 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -94.98 129.83 41.89 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.498 1.124 . . . . 0.0 109.316 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -131.86 118.24 37.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.515 1.134 . . . . 0.0 109.253 -179.943 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -95.83 112.76 24.41 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.516 1.135 . . . . 0.0 111.027 179.974 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 21' ' ' ILE . . . . . 0.44 ' CG1' HD11 ' A' ' 93' ' ' ILE . 33.3 mm -96.68 120.61 46.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.46 1.1 . . . . 0.0 109.289 -179.973 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 22' ' ' SER . . . . . 0.437 ' O ' ' CD1' ' A' ' 53' ' ' LEU . 6.4 t -112.26 109.01 18.43 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.537 1.148 . . . . 0.0 110.015 179.979 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . 0.446 ' CD1' ' HA2' ' A' ' 28' ' ' GLY . 3.3 mm? -77.63 61.0 2.27 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.422 1.076 . . . . 0.0 109.294 -179.993 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 3.5 m -126.65 163.3 29.25 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.553 1.158 . . . . 0.0 109.28 -179.986 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 55.47 -171.87 1.49 Allowed Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.548 1.155 . . . . 0.0 111.007 179.97 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 58.3 p -63.85 82.57 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.492 0.76 . . . . 0.0 109.97 -179.984 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 171.22 110.56 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.49 1.119 . . . . 0.0 110.303 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . 0.446 ' HA2' ' CD1' ' A' ' 23' ' ' LEU . . . -122.3 33.15 4.27 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.462 1.101 . . . . 0.0 111.005 -179.994 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . 0.401 ' CB ' ' O ' ' A' ' 28' ' ' GLY . 0.9 OUTLIER 80.96 121.93 0.05 OUTLIER 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.511 0.771 . . . . 0.0 109.342 -179.957 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -120.52 22.66 8.21 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.527 1.142 . . . . 0.0 111.014 -179.957 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 26.7 p -111.18 166.79 10.78 Favored 'General case' 0 C--N 1.325 -0.472 0 N-CA-C 108.29 -1.004 . . . . 0.0 108.29 179.983 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -124.81 142.05 51.69 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.508 1.13 . . . . 0.0 110.001 -179.994 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 33' ' ' ILE . . . . . 0.452 HD11 ' CG2' ' A' ' 82' ' ' VAL . 6.6 pt -116.51 149.38 18.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.502 1.126 . . . . 0.0 109.296 179.953 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -137.87 169.64 17.43 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.477 1.111 . . . . 0.0 110.006 179.978 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 78.2 p -93.32 143.38 26.33 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.481 1.113 . . . . 0.0 109.976 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -94.43 165.13 26.01 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.511 1.132 . . . . 0.0 110.994 179.974 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.96 -169.12 0.58 Allowed 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.497 1.788 . . . . 0.0 111.006 179.988 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 0.7 OUTLIER -75.1 -30.29 23.03 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.448 1.093 . . . . 0.0 109.316 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 12.4 pt20 -78.64 -28.92 45.59 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.509 1.131 . . . . 0.0 110.3 -179.985 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . 0.472 ' N ' ' HD3' ' A' ' 41' ' ' PRO . 0.0 OUTLIER -136.44 61.76 39.69 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.473 1.108 . . . . 0.0 109.283 -179.992 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 41' ' ' PRO . . . . . 0.472 ' HD3' ' N ' ' A' ' 40' ' ' LYS . 18.2 Cg_endo -75.07 144.97 30.65 Favored 'Trans proline' 0 C--N 1.36 1.132 0 O-C-N 124.489 1.784 . . . . 0.0 110.956 -179.97 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 142.71 -157.62 26.79 Favored Glycine 0 CA--C 1.531 1.044 0 O-C-N 124.517 1.136 . . . . 0.0 110.977 179.972 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 43' ' ' ILE . . . . . 0.411 ' O ' ' N ' ' A' ' 65' ' ' ILE . 20.5 mm -117.08 126.14 74.3 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.506 0.768 . . . . 0.0 109.305 -179.987 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 44' ' ' PHE . . . . . 0.584 ' CD2' ' HB2' ' A' ' 64' ' ' GLN . 2.0 m-85 -133.94 139.17 45.95 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.469 1.105 . . . . 0.0 110.988 -179.977 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 45' ' ' ILE . . . . . 0.426 ' O ' ' CZ ' ' A' ' 104' ' ' PHE . 12.9 mt -67.97 141.69 17.36 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.462 1.101 . . . . 0.0 109.278 179.984 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 46' ' ' SER . . . . . 0.537 ' HA ' ' CE2' ' A' ' 104' ' ' PHE . 1.0 OUTLIER -103.78 -37.13 7.59 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.543 1.152 . . . . 0.0 109.955 -179.998 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 66.5 t-80 -153.99 163.37 40.17 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.487 1.117 . . . . 0.0 109.559 -179.972 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 55.9 t -144.87 125.28 7.48 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.477 1.111 . . . . 0.0 109.291 179.994 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 7.4 mttp -73.21 155.32 90.11 Favored Pre-proline 0 C--N 1.326 -0.442 0 O-C-N 124.442 1.089 . . . . 0.0 109.326 179.995 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.95 123.38 7.86 Favored 'Trans proline' 0 C--N 1.36 1.133 0 O-C-N 124.444 1.76 . . . . 0.0 110.995 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 72.73 22.08 79.26 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.523 1.139 . . . . 0.0 110.973 -180.0 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 30.0 p -73.71 -173.96 1.63 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.478 0.752 . . . . 0.0 109.972 -179.975 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . 0.437 ' CD1' ' O ' ' A' ' 22' ' ' SER . 0.4 OUTLIER -76.55 -18.13 58.85 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.551 1.157 . . . . 0.0 109.276 -179.952 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 54' ' ' SER . . . . . 0.469 ' O ' ' CG2' ' A' ' 57' ' ' VAL . 0.1 OUTLIER -95.04 -34.2 12.42 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.55 1.156 . . . . 0.0 109.992 -179.975 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -71.05 -36.74 72.43 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.541 1.151 . . . . 0.0 109.322 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . 0.441 ' HG3' ' N ' ' A' ' 57' ' ' VAL . 4.7 pt-20 -57.22 -31.92 65.99 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.487 1.117 . . . . 0.0 110.304 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 57' ' ' VAL . . . . . 0.469 ' CG2' ' O ' ' A' ' 54' ' ' SER . 13.5 m -86.82 -25.71 6.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.476 1.11 . . . . 0.0 109.308 -179.977 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 102.9 41.92 2.2 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.534 1.146 . . . . 0.0 110.979 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . 0.465 ' HG ' ' CG2' ' A' ' 57' ' ' VAL . 25.3 mt -93.12 140.51 29.43 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.515 0.773 . . . . 0.0 109.324 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 13.4 mt-10 -135.38 173.62 11.52 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.496 1.123 . . . . 0.0 110.313 179.979 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 47.9 mt -64.28 126.34 22.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.446 1.091 . . . . 0.0 109.244 -179.964 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 62' ' ' GLY . . . . . 0.4 ' O ' ' N ' ' A' ' 64' ' ' GLN . . . 122.17 -35.48 3.49 Favored Glycine 0 CA--C 1.529 0.959 0 O-C-N 124.528 1.142 . . . . 0.0 111.048 179.995 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 75.9 m-20 -49.85 96.33 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.468 0.746 . . . . 0.0 109.282 179.995 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 64' ' ' GLN . . . . . 0.584 ' HB2' ' CD2' ' A' ' 44' ' ' PHE . 40.7 tt0 -83.11 117.34 22.8 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.529 1.143 . . . . 0.0 110.321 179.954 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 65' ' ' ILE . . . . . 0.57 HG21 ' CD2' ' A' ' 73' ' ' PHE . 42.3 mt -71.05 106.65 1.94 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.5 1.125 . . . . 0.0 109.288 -179.974 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 14.9 m -95.22 -23.34 5.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.482 1.114 . . . . 0.0 109.309 179.95 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . 0.425 ' HG2' ' N ' ' A' ' 68' ' ' VAL . 36.3 tt0 -151.83 156.37 40.04 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.521 1.138 . . . . 0.0 110.305 179.948 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 68' ' ' VAL . . . . . 0.575 ' HB ' ' CE1' ' A' ' 73' ' ' PHE . 75.2 t -151.98 120.03 0.76 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.474 1.109 . . . . 0.0 109.328 -179.981 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 1.2 t-20 51.78 23.82 2.2 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.453 1.095 . . . . 0.0 109.286 -179.964 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 88.96 21.34 42.82 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.552 1.158 . . . . 0.0 110.952 179.949 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 71' ' ' VAL . . . . . 0.499 ' CG2' ' O ' ' A' ' 68' ' ' VAL . 63.9 t -94.68 146.13 7.16 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.443 0.731 . . . . 0.0 109.285 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 8.3 t0 -82.48 86.27 6.79 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.511 1.132 . . . . 0.0 109.282 -179.989 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 73' ' ' PHE . . . . . 0.605 ' CD1' ' CD1' ' A' ' 76' ' ' LEU . 3.4 m-85 -88.65 29.67 0.98 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.461 1.101 . . . . 0.0 110.978 -179.986 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 3.1 t -71.87 -68.81 0.43 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.521 1.138 . . . . 0.0 109.979 -179.984 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 3.5 m-80 -109.95 46.58 1.01 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.522 1.139 . . . . 0.0 109.298 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 76' ' ' LEU . . . . . 0.605 ' CD1' ' CD1' ' A' ' 73' ' ' PHE . 7.2 mt -79.9 -167.51 1.29 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.462 1.101 . . . . 0.0 109.282 179.995 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 26.3 t0 -135.82 171.4 14.52 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.528 1.142 . . . . 0.0 109.26 -179.982 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 78' ' ' HIS . . . . . . . . . . . . . 64.9 t-80 -71.24 -6.62 41.04 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.487 1.117 . . . . 0.0 109.628 179.985 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 10.1 mmtt -108.0 -36.92 6.21 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.525 1.141 . . . . 0.0 109.283 -179.984 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 80' ' ' GLU . . . . . 0.501 ' O ' ' CG2' ' A' ' 84' ' ' VAL . 2.2 mt-10 -78.84 -38.17 38.65 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.485 1.116 . . . . 0.0 110.306 179.973 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 81' ' ' ALA . . . . . 0.435 ' HB3' ' CE2' ' A' ' 73' ' ' PHE . . . -70.92 -32.47 69.4 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.466 1.103 . . . . 0.0 109.323 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 82' ' ' VAL . . . . . 0.5 ' O ' ' N ' ' A' ' 85' ' ' LEU . 15.4 t -77.29 -56.62 7.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.465 1.103 . . . . 0.0 109.293 179.991 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 13.6 t30 -45.54 -45.07 13.22 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.504 1.127 . . . . 0.0 109.323 -179.992 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 84' ' ' VAL . . . . . 0.501 ' CG2' ' O ' ' A' ' 80' ' ' GLU . 75.3 t -59.33 -34.11 53.12 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.513 1.133 . . . . 0.0 109.298 179.966 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 85' ' ' LEU . . . . . 0.5 ' N ' ' O ' ' A' ' 82' ' ' VAL . 49.8 mt -72.8 -37.28 67.59 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.49 1.119 . . . . 0.0 109.294 179.983 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 86' ' ' LYS . . . . . 0.418 ' HG3' ' O ' ' A' ' 82' ' ' VAL . 3.9 mttm -70.2 -25.96 63.66 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.481 1.113 . . . . 0.0 109.277 -179.938 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 87' ' ' SER . . . . . 0.416 ' C ' ' O ' ' A' ' 86' ' ' LYS . 35.6 t -37.02 -69.6 0.11 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.487 1.117 . . . . 0.0 110.005 -179.991 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -132.1 175.35 9.31 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.575 1.172 . . . . 0.0 110.023 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 2.8 mmt85 -81.56 -58.04 3.2 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.467 1.104 . . . . 0.0 110.285 -179.992 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -79.23 112.31 16.32 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.519 1.137 . . . . 0.0 110.006 179.991 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -133.5 153.01 51.98 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.529 1.143 . . . . 0.0 109.318 179.967 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 6.7 m -107.79 100.53 9.9 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.513 1.133 . . . . 0.0 110.405 -179.991 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 93' ' ' ILE . . . . . 0.44 HD11 ' CG1' ' A' ' 21' ' ' ILE . 16.9 mt -89.57 134.77 27.82 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.494 1.121 . . . . 0.0 109.264 -179.981 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -113.68 100.33 8.4 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.511 1.132 . . . . 0.0 110.014 179.976 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 95' ' ' ILE . . . . . 0.449 HD13 ' CE ' ' A' ' 17' ' ' LYS . 1.1 pt -100.38 169.49 1.66 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.542 1.151 . . . . 0.0 109.276 -179.965 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 96' ' ' VAL . . . . . 0.499 ' O ' ' CG1' ' A' ' 96' ' ' VAL . 72.2 t -112.84 34.49 0.92 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.509 1.131 . . . . 0.0 109.307 179.991 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 97' ' ' ALA . . . . . 0.4 ' O ' ' O ' ' A' ' 96' ' ' VAL . . . 45.53 93.83 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.543 1.152 . . . . 0.0 109.256 179.984 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . 46.47 58.56 4.49 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.488 1.118 . . . . 0.0 109.333 -179.971 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 99' ' ' ALA . . . . . 0.449 ' CB ' ' HB ' ' A' ' 96' ' ' VAL . . . -62.27 -67.3 0.43 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.526 1.141 . . . . 0.0 109.323 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . -107.17 60.23 0.35 Allowed Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.527 1.142 . . . . 0.0 111.021 179.945 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 6.3 ptt-85 -76.76 -17.08 59.27 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.503 0.767 . . . . 0.0 110.301 179.986 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 7.5 pt-20 -71.23 -8.13 51.52 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.517 1.136 . . . . 0.0 110.287 -179.986 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 43.8 mt -73.27 -20.52 60.81 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.466 1.104 . . . . 0.0 109.275 179.988 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 104' ' ' PHE . . . . . 0.537 ' CE2' ' HA ' ' A' ' 46' ' ' SER . 4.8 m-85 -122.98 -49.12 1.98 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.499 1.124 . . . . 0.0 110.997 179.984 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 105' ' ' MET . . . . . 0.474 ' O ' ' CG2' ' A' ' 106' ' ' THR . 0.0 OUTLIER 69.01 -61.5 0.43 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.451 1.094 . . . . 0.0 111.04 -179.985 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 106' ' ' THR . . . . . 0.474 ' CG2' ' O ' ' A' ' 105' ' ' MET . 12.8 t 48.27 -174.52 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.541 1.151 . . . . 0.0 110.401 179.959 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 10.2 p-10 178.68 116.24 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.533 1.146 . . . . 0.0 109.309 -179.997 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 6.5 ptt180 -53.4 143.89 18.01 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.495 1.122 . . . . 0.0 110.254 -179.973 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 176.94 90.49 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.499 1.124 . . . . 0.0 109.974 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 96.97 121.44 4.12 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.458 1.099 . . . . 0.0 110.998 179.965 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 111' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.05 170.87 19.47 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.527 1.804 . . . . 0.0 110.983 -179.981 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -139.07 139.54 37.77 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.513 1.133 . . . . 0.0 109.996 -179.949 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 50.4 m -115.86 137.28 52.24 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.501 1.126 . . . . 0.0 109.988 179.977 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.023 0 O-C-N 124.425 1.078 . . . . 0.0 111.006 179.995 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.938 0 N-CA-C 111.006 -0.838 . . . . 0.0 111.006 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 43.6 m -90.06 101.25 13.96 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.474 0.749 . . . . 0.0 110.031 179.968 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.5 t -169.31 94.22 0.29 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.518 1.137 . . . . 0.0 109.989 -179.965 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -89.45 132.27 11.17 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.452 1.095 . . . . 0.0 111.025 179.965 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -82.23 160.26 23.03 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.515 0.773 . . . . 0.0 109.965 -179.979 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 6.8 m -98.45 -23.68 15.47 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.507 1.13 . . . . 0.0 110.023 179.95 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 92.11 144.85 14.44 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.485 1.115 . . . . 0.0 111.012 -179.984 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -117.76 138.99 25.81 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.52 0.777 . . . . 0.0 110.036 179.995 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 -55.08 0.08 OUTLIER 'Trans proline' 0 C--N 1.359 1.106 0 O-C-N 124.516 1.798 . . . . 0.0 110.972 -179.958 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 68.77 -100.01 0.65 Allowed Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.486 1.117 . . . . 0.0 111.013 -179.99 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 1.9 t-20 62.46 130.14 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.536 0.786 . . . . 0.0 109.299 179.978 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 6.3 ptt85 178.98 139.55 0.1 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.463 1.102 . . . . 0.0 110.26 179.988 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 6.0 pt-20 -174.57 57.03 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.473 1.108 . . . . 0.0 110.323 179.99 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -157.8 -64.11 0.09 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.517 1.136 . . . . 0.0 109.284 -179.98 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 1.6 mppt? -103.53 170.11 8.13 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.519 1.137 . . . . 0.0 109.259 -179.952 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 25.6 mt-10 38.69 87.95 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.504 1.127 . . . . 0.0 110.345 -179.979 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . 0.495 ' CE ' ' CD1' ' A' ' 95' ' ' ILE . 0.4 OUTLIER -110.81 142.95 42.13 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.519 1.137 . . . . 0.0 109.318 -179.99 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -95.11 133.72 38.62 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.465 1.103 . . . . 0.0 109.287 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . 0.498 ' CG2' ' O ' ' A' ' 93' ' ' ILE . 26.8 m -132.47 159.35 43.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.459 1.099 . . . . 0.0 109.244 -179.966 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 20' ' ' PHE . . . . . 0.501 ' CZ ' ' OG1' ' A' ' 92' ' ' THR . 0.1 OUTLIER -135.69 113.27 10.83 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.537 1.148 . . . . 0.0 110.993 -179.984 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 21' ' ' ILE . . . . . 0.472 ' O ' ' CG2' ' A' ' 21' ' ' ILE . 1.1 mp -95.33 102.53 13.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.464 1.102 . . . . 0.0 109.318 179.982 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 6.2 t -88.26 113.09 23.52 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.468 1.105 . . . . 0.0 109.994 -179.976 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . 0.489 ' HB2' ' CA ' ' A' ' 89' ' ' ARG . 0.2 OUTLIER -90.84 69.15 6.44 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.542 1.151 . . . . 0.0 109.325 179.976 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . 0.502 ' CG2' ' O ' ' A' ' 24' ' ' VAL . 4.9 m -123.66 64.35 0.28 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.474 1.109 . . . . 0.0 109.32 179.973 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 168.9 -162.98 36.78 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.439 1.087 . . . . 0.0 111.019 -179.994 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 47.6 t -92.44 15.03 14.91 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.526 0.78 . . . . 0.0 109.957 -179.989 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -76.91 -76.62 0.16 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.511 1.132 . . . . 0.0 110.335 179.939 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . 0.464 ' HA2' ' CD2' ' A' ' 23' ' ' LEU . . . 62.08 48.42 83.3 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.501 1.126 . . . . 0.0 111.018 -179.99 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 3.2 tp 69.09 137.59 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.538 0.787 . . . . 0.0 109.309 -179.997 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -126.13 7.91 7.61 Favored Glycine 0 CA--C 1.531 1.071 0 O-C-N 124.455 1.097 . . . . 0.0 111.004 -179.989 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 31' ' ' CYS . . . . . 0.41 ' CB ' HG23 ' A' ' 48' ' ' VAL . 14.9 p -106.46 142.92 35.34 Favored 'General case' 0 C--N 1.325 -0.49 0 N-CA-C 108.291 -1.003 . . . . 0.0 108.291 179.98 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -91.1 140.78 29.5 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.542 1.151 . . . . 0.0 110.004 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 7.5 pt -116.4 146.25 21.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.507 1.13 . . . . 0.0 109.3 -179.965 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -133.84 169.89 16.4 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.478 1.111 . . . . 0.0 109.967 180.0 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 50.7 p -103.46 131.6 50.43 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.483 1.115 . . . . 0.0 109.967 -179.956 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -75.55 171.29 54.31 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.449 1.093 . . . . 0.0 111.004 179.964 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 -176.24 2.78 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.543 1.812 . . . . 0.0 110.988 -179.969 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 5.0 tt -69.73 -28.25 36.5 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.468 1.105 . . . . 0.0 109.313 -179.976 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 6.0 pt20 -79.04 -30.55 44.17 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.499 1.125 . . . . 0.0 110.295 179.984 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . 0.457 ' N ' ' HD3' ' A' ' 41' ' ' PRO . 21.9 tttp -137.66 62.34 34.81 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.516 1.135 . . . . 0.0 109.307 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 41' ' ' PRO . . . . . 0.457 ' HD3' ' N ' ' A' ' 40' ' ' LYS . 18.2 Cg_endo -75.04 144.38 30.05 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.488 1.783 . . . . 0.0 110.982 -179.947 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 155.91 -160.57 30.12 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.552 1.158 . . . . 0.0 111.032 -179.988 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 43' ' ' ILE . . . . . 0.41 HG21 ' CD1' ' A' ' 65' ' ' ILE . 8.5 mm -121.19 105.94 17.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.536 0.786 . . . . 0.0 109.298 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 44' ' ' PHE . . . . . 0.569 ' CD2' ' HB2' ' A' ' 64' ' ' GLN . 3.3 m-85 -117.12 138.43 51.65 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.522 1.139 . . . . 0.0 110.998 -179.981 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 45' ' ' ILE . . . . . 0.431 ' O ' ' CZ ' ' A' ' 104' ' ' PHE . 16.5 mt -68.02 149.21 11.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.528 1.143 . . . . 0.0 109.288 179.977 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 1.4 p -113.91 -37.83 4.39 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.487 1.117 . . . . 0.0 110.003 179.986 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 53.7 t-80 -149.01 163.68 36.81 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.56 1.162 . . . . 0.0 109.603 179.986 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 48' ' ' VAL . . . . . 0.425 HG13 ' N ' ' A' ' 49' ' ' LYS . 17.2 t -140.11 141.05 34.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.512 1.133 . . . . 0.0 109.31 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . 0.425 ' N ' HG13 ' A' ' 48' ' ' VAL . 12.7 mtpt -92.37 156.03 41.95 Favored Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.513 1.133 . . . . 0.0 109.289 -179.973 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 118.47 5.28 Favored 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.525 1.803 . . . . 0.0 110.984 -179.972 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 72.04 20.04 78.74 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.494 1.122 . . . . 0.0 111.005 -179.992 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 92.2 p -72.87 -166.54 0.3 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.483 0.755 . . . . 0.0 109.999 179.996 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . 0.466 ' CD2' HG22 ' A' ' 21' ' ' ILE . 2.8 tp -79.42 -14.45 58.93 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.506 1.129 . . . . 0.0 109.333 179.979 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 54' ' ' SER . . . . . 0.488 ' O ' ' CG2' ' A' ' 57' ' ' VAL . 0.0 OUTLIER -94.26 -43.78 8.27 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.508 1.13 . . . . 0.0 110.023 179.986 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . 0.407 ' O ' ' N ' ' A' ' 58' ' ' GLY . . . -65.11 -46.48 80.83 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.556 1.16 . . . . 0.0 109.291 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . 0.468 ' HG3' ' N ' ' A' ' 57' ' ' VAL . 11.0 pt-20 -45.95 -36.06 5.18 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.478 1.111 . . . . 0.0 110.272 -179.984 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 57' ' ' VAL . . . . . 0.488 ' CG2' ' O ' ' A' ' 54' ' ' SER . 33.2 m -90.78 -26.23 5.23 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.514 1.134 . . . . 0.0 109.32 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 58' ' ' GLY . . . . . 0.407 ' N ' ' O ' ' A' ' 55' ' ' ALA . . . 103.78 36.6 3.19 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.457 1.098 . . . . 0.0 111.045 -179.985 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . 0.47 ' HG ' ' CG2' ' A' ' 57' ' ' VAL . 19.3 mt -84.46 141.42 30.81 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.544 0.791 . . . . 0.0 109.284 -179.963 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 32.8 mt-10 -138.91 170.17 16.46 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.549 1.156 . . . . 0.0 110.277 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 68.5 mt -60.23 131.64 25.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.489 1.118 . . . . 0.0 109.282 179.969 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 111.87 -25.33 13.2 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.515 1.134 . . . . 0.0 110.967 179.962 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . 0.44 ' CG ' ' CD1' ' A' ' 95' ' ' ILE . 61.3 m-20 -62.24 97.12 0.08 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.516 0.774 . . . . 0.0 109.266 -179.963 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 64' ' ' GLN . . . . . 0.569 ' HB2' ' CD2' ' A' ' 44' ' ' PHE . 38.0 tt0 -83.2 118.97 23.98 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.51 1.132 . . . . 0.0 110.337 179.957 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 65' ' ' ILE . . . . . 0.598 ' CG2' ' CG2' ' A' ' 68' ' ' VAL . 22.8 mt -68.19 107.09 1.15 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.521 1.138 . . . . 0.0 109.276 -179.973 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 17.6 m -98.11 -21.41 5.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.544 1.153 . . . . 0.0 109.308 179.952 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . 0.428 ' HG2' ' N ' ' A' ' 68' ' ' VAL . 36.5 tt0 -153.56 153.1 31.75 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.506 1.129 . . . . 0.0 110.269 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 68' ' ' VAL . . . . . 0.598 ' CG2' ' CG2' ' A' ' 65' ' ' ILE . 97.1 t -151.2 111.82 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.468 1.105 . . . . 0.0 109.325 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER 59.75 17.56 6.48 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.478 1.111 . . . . 0.0 109.342 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 101.05 -0.5 54.84 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.561 1.163 . . . . 0.0 111.029 -179.981 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 60.1 t -75.34 154.5 6.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.519 0.776 . . . . 0.0 109.311 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 6.5 t0 -91.18 90.96 8.02 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.526 1.141 . . . . 0.0 109.304 -179.971 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 73' ' ' PHE . . . . . 0.623 ' CD1' ' CD1' ' A' ' 76' ' ' LEU . 4.2 m-85 -94.28 21.66 6.77 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.443 1.089 . . . . 0.0 111.002 -179.979 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -69.94 -38.52 76.2 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.51 1.131 . . . . 0.0 109.982 179.995 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 28.7 m-20 -139.61 52.53 1.72 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.502 1.126 . . . . 0.0 109.295 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 76' ' ' LEU . . . . . 0.623 ' CD1' ' CD1' ' A' ' 73' ' ' PHE . 6.1 mt -87.48 -166.12 1.49 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.563 1.165 . . . . 0.0 109.297 -179.966 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 25.1 t70 -132.66 169.52 16.53 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.511 1.132 . . . . 0.0 109.326 179.985 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 78' ' ' HIS . . . . . . . . . . . . . 54.2 t-80 -70.6 -7.13 41.87 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.496 1.122 . . . . 0.0 109.581 -179.959 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 1.3 mtpp -108.71 -36.32 6.19 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.493 1.121 . . . . 0.0 109.3 -179.962 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 80' ' ' GLU . . . . . 0.472 ' O ' ' CG2' ' A' ' 84' ' ' VAL . 4.3 mm-40 -79.53 -35.94 39.17 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.484 1.115 . . . . 0.0 110.279 -179.987 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -73.62 -34.26 64.95 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.518 1.136 . . . . 0.0 109.306 -179.997 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 82' ' ' VAL . . . . . 0.472 ' O ' ' N ' ' A' ' 85' ' ' LEU . 20.5 t -74.87 -57.75 5.91 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.531 1.144 . . . . 0.0 109.267 -179.958 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 11.1 t30 -48.07 -44.73 31.73 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.501 1.126 . . . . 0.0 109.304 -180.0 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 84' ' ' VAL . . . . . 0.472 ' CG2' ' O ' ' A' ' 80' ' ' GLU . 46.9 t -63.27 -27.45 43.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.513 1.133 . . . . 0.0 109.279 -179.98 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 85' ' ' LEU . . . . . 0.472 ' N ' ' O ' ' A' ' 82' ' ' VAL . 36.3 mt -81.95 -34.57 29.73 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.473 1.108 . . . . 0.0 109.3 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 86' ' ' LYS . . . . . 0.463 ' O ' ' C ' ' A' ' 87' ' ' SER . 0.0 OUTLIER -78.64 -34.03 46.81 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.457 1.098 . . . . 0.0 109.318 179.997 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 87' ' ' SER . . . . . 0.463 ' C ' ' O ' ' A' ' 86' ' ' LYS . 34.1 t -34.77 -68.66 0.11 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.519 1.137 . . . . 0.0 109.972 -179.971 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -115.6 165.4 13.06 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.48 1.112 . . . . 0.0 109.999 -179.987 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 89' ' ' ARG . . . . . 0.489 ' CA ' ' HB2' ' A' ' 23' ' ' LEU . 0.6 OUTLIER -79.27 -64.44 1.19 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.416 1.073 . . . . 0.0 110.351 179.954 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -80.34 112.58 17.81 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.523 1.139 . . . . 0.0 109.976 179.984 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 1.4 mt -129.93 144.33 51.27 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.492 1.12 . . . . 0.0 109.267 179.953 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 92' ' ' THR . . . . . 0.501 ' OG1' ' CZ ' ' A' ' 20' ' ' PHE . 33.6 m -100.25 101.66 12.73 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.495 1.122 . . . . 0.0 110.426 179.973 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 93' ' ' ILE . . . . . 0.498 ' O ' ' CG2' ' A' ' 19' ' ' VAL . 25.8 mt -89.3 141.26 14.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.457 1.098 . . . . 0.0 109.299 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -122.96 109.86 14.65 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.482 1.114 . . . . 0.0 110.011 -179.971 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 95' ' ' ILE . . . . . 0.495 ' CD1' ' CE ' ' A' ' 17' ' ' LYS . 1.1 pt -108.74 170.42 2.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.466 1.104 . . . . 0.0 109.339 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 96' ' ' VAL . . . . . 0.478 ' O ' ' CG1' ' A' ' 96' ' ' VAL . 84.2 t -107.16 31.17 0.89 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.509 1.131 . . . . 0.0 109.243 -179.982 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 97' ' ' ALA . . . . . 0.406 ' O ' ' O ' ' A' ' 96' ' ' VAL . . . 44.19 92.99 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.505 1.128 . . . . 0.0 109.277 179.95 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 98' ' ' ALA . . . . . 0.447 ' CB ' ' HG3' ' A' ' 101' ' ' ARG . . . 55.96 52.9 9.88 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.57 1.169 . . . . 0.0 109.285 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 99' ' ' ALA . . . . . 0.445 ' CB ' ' HB ' ' A' ' 96' ' ' VAL . . . -58.25 -71.59 0.11 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.508 1.13 . . . . 0.0 109.305 179.976 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . -103.5 57.53 0.55 Allowed Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.532 1.145 . . . . 0.0 111.005 -179.997 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 101' ' ' ARG . . . . . 0.447 ' HG3' ' CB ' ' A' ' 98' ' ' ALA . 0.0 OUTLIER -63.78 -29.15 70.39 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.481 0.754 . . . . 0.0 110.266 -179.976 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 1.3 pt-20 -62.27 -20.47 64.31 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.503 1.127 . . . . 0.0 110.325 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 103' ' ' LEU . . . . . 0.408 HD13 ' CD2' ' A' ' 44' ' ' PHE . 32.4 mt -66.7 -16.51 64.28 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.497 1.123 . . . . 0.0 109.317 179.976 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 104' ' ' PHE . . . . . 0.431 ' CZ ' ' O ' ' A' ' 45' ' ' ILE . 14.9 m-85 -136.28 49.66 2.09 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.505 1.128 . . . . 0.0 110.983 179.989 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 105' ' ' MET . . . . . . . . . . . . . 0.4 OUTLIER -95.72 51.8 1.3 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.513 1.133 . . . . 0.0 111.026 179.967 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 8.9 t -157.78 139.27 13.72 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.479 1.112 . . . . 0.0 110.41 -179.963 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 25.2 t70 -113.47 159.48 19.48 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.523 1.139 . . . . 0.0 109.288 -179.974 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -167.19 136.91 2.87 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.499 1.125 . . . . 0.0 110.282 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 48.9 m -64.25 171.9 2.79 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.495 1.122 . . . . 0.0 109.996 -179.985 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . -164.88 157.76 30.31 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.501 1.126 . . . . 0.0 111.004 179.99 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 111' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 -178.52 4.22 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.488 1.783 . . . . 0.0 111.03 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 73.0 m -166.03 117.04 1.03 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.535 1.147 . . . . 0.0 109.984 179.976 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -94.4 136.61 34.51 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.444 1.09 . . . . 0.0 109.997 179.977 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.01 0 O-C-N 124.533 1.146 . . . . 0.0 111.013 179.996 . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.009 0 N-CA-C 110.992 -0.843 . . . . 0.0 110.992 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -116.78 166.14 12.49 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.461 0.742 . . . . 0.0 110.03 -179.965 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -158.86 156.51 29.76 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.515 1.134 . . . . 0.0 110.047 179.972 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -168.2 172.41 42.8 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.488 1.117 . . . . 0.0 111.003 -179.979 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -178.15 114.3 0.08 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.541 0.789 . . . . 0.0 109.977 -179.97 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 4.7 t -105.75 -19.56 13.72 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.457 1.098 . . . . 0.0 110.003 179.993 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 100.61 179.48 29.48 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.507 1.13 . . . . 0.0 110.997 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -135.5 132.57 19.86 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.516 0.774 . . . . 0.0 109.982 -179.983 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 179.92 5.61 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.479 1.779 . . . . 0.0 111.013 -179.978 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -140.6 87.19 0.19 Allowed Glycine 0 CA--C 1.531 1.06 0 O-C-N 124.479 1.112 . . . . 0.0 110.981 -179.957 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 16.4 p-10 -177.86 160.36 1.48 Allowed 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.574 0.808 . . . . 0.0 109.306 -179.992 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -116.32 76.17 1.01 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.55 1.156 . . . . 0.0 110.307 179.994 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -162.37 158.16 23.64 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.462 1.102 . . . . 0.0 110.357 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 1.2 m-20 -119.91 88.31 2.91 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.529 1.143 . . . . 0.0 109.299 -179.984 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 5.0 mmtp -122.01 171.06 9.23 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.49 1.119 . . . . 0.0 109.31 179.945 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 14.3 mt-10 41.51 88.58 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.472 1.108 . . . . 0.0 110.265 179.954 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . 0.466 ' CE ' HD13 ' A' ' 95' ' ' ILE . 0.8 OUTLIER -109.17 141.3 41.6 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.495 1.122 . . . . 0.0 109.323 179.941 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 1.4 ttmm -97.24 112.25 24.14 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.533 1.146 . . . . 0.0 109.267 -179.986 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -115.22 116.68 53.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.475 1.109 . . . . 0.0 109.293 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 20' ' ' PHE . . . . . 0.594 ' CD1' ' O ' ' A' ' 91' ' ' LEU . 0.3 OUTLIER -94.56 117.65 30.45 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.503 1.127 . . . . 0.0 110.981 -179.998 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 21' ' ' ILE . . . . . 0.469 ' CG1' HD13 ' A' ' 93' ' ' ILE . 27.9 mm -95.06 102.06 13.17 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.468 1.105 . . . . 0.0 109.358 179.949 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 68.5 m -89.79 112.54 23.88 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.486 1.116 . . . . 0.0 109.948 -179.947 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . 0.469 ' HB2' ' CA ' ' A' ' 89' ' ' ARG . 0.1 OUTLIER -90.0 72.98 7.39 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.49 1.119 . . . . 0.0 109.288 179.976 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . 0.401 ' O ' ' CG2' ' A' ' 24' ' ' VAL . 4.9 m -131.54 113.8 23.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.551 1.157 . . . . 0.0 109.314 179.966 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 128.87 -101.27 0.54 Allowed Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.527 1.142 . . . . 0.0 110.988 179.995 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 29.6 p -156.73 67.71 0.56 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.483 0.755 . . . . 0.0 110.026 -179.961 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -161.3 126.52 3.63 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.481 1.113 . . . . 0.0 110.269 -179.981 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -121.55 55.25 0.66 Allowed Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.516 1.135 . . . . 0.0 110.983 -179.999 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . 0.497 ' CD2' ' SG ' ' A' ' 31' ' ' CYS . 0.6 OUTLIER 65.28 112.9 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.443 0.731 . . . . 0.0 109.338 -179.978 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -104.07 42.47 1.89 Allowed Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.528 1.143 . . . . 0.0 111.024 -179.983 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 31' ' ' CYS . . . . . 0.497 ' SG ' ' CD2' ' A' ' 29' ' ' LEU . 27.7 p -136.58 143.79 43.8 Favored 'General case' 0 C--N 1.325 -0.483 0 N-CA-C 108.295 -1.002 . . . . 0.0 108.295 179.994 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -89.41 138.74 31.18 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.538 1.149 . . . . 0.0 110.025 179.994 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 14.3 pt -119.01 143.04 31.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.475 1.11 . . . . 0.0 109.341 -179.997 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -136.31 168.97 18.41 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.499 1.124 . . . . 0.0 110.036 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -100.49 152.12 20.76 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.572 1.17 . . . . 0.0 110.002 -179.966 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -94.16 175.54 35.02 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.512 1.133 . . . . 0.0 111.003 179.988 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 -172.0 1.13 Allowed 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.5 1.79 . . . . 0.0 111.021 179.978 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 0.7 OUTLIER -72.92 -30.13 31.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.457 1.098 . . . . 0.0 109.3 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 7.6 pt20 -77.6 -30.75 52.59 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.498 1.124 . . . . 0.0 110.334 179.965 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . 0.466 ' N ' ' HD3' ' A' ' 41' ' ' PRO . 2.5 tttt -136.6 61.86 39.24 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.543 1.152 . . . . 0.0 109.266 180.0 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 41' ' ' PRO . . . . . 0.466 ' HD3' ' N ' ' A' ' 40' ' ' LYS . 18.1 Cg_endo -75.04 145.98 31.96 Favored 'Trans proline' 0 C--N 1.361 1.191 0 O-C-N 124.517 1.798 . . . . 0.0 111.008 179.986 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 152.39 -157.93 27.55 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.5 1.125 . . . . 0.0 110.996 -179.982 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 43' ' ' ILE . . . . . 0.448 HG22 ' CD1' ' A' ' 65' ' ' ILE . 7.9 mm -121.88 117.8 53.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.497 0.763 . . . . 0.0 109.301 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 44' ' ' PHE . . . . . 0.566 ' CD2' ' HB2' ' A' ' 64' ' ' GLN . 2.2 m-85 -127.89 140.86 51.76 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.479 1.112 . . . . 0.0 110.989 -179.95 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 45' ' ' ILE . . . . . 0.548 ' O ' ' CZ ' ' A' ' 104' ' ' PHE . 8.9 mt -66.93 152.55 9.53 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.472 1.107 . . . . 0.0 109.302 179.969 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -117.59 -38.64 3.26 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.442 1.089 . . . . 0.0 110.002 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 44.3 t-80 -151.66 159.82 43.87 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.427 1.079 . . . . 0.0 109.563 -179.971 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 65.2 t -141.0 131.06 26.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.522 1.139 . . . . 0.0 109.273 -179.974 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -75.81 155.78 84.85 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.511 1.132 . . . . 0.0 109.296 180.0 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 111.57 3.36 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.555 1.818 . . . . 0.0 110.997 -179.996 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 74.23 45.08 26.46 Favored Glycine 0 CA--C 1.529 0.95 0 O-C-N 124.477 1.11 . . . . 0.0 110.996 -179.979 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 28.5 p -93.71 -166.5 1.52 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.447 0.734 . . . . 0.0 109.973 -179.976 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . 0.444 ' O ' ' CD1' ' A' ' 21' ' ' ILE . 19.0 tp -79.43 -13.71 59.41 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.503 1.127 . . . . 0.0 109.319 179.976 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 54' ' ' SER . . . . . 0.487 ' O ' ' CG2' ' A' ' 57' ' ' VAL . 0.0 OUTLIER -95.75 -42.13 8.51 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.574 1.172 . . . . 0.0 110.027 179.99 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . 0.434 ' O ' ' N ' ' A' ' 58' ' ' GLY . . . -65.22 -43.06 92.7 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.495 1.122 . . . . 0.0 109.33 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . 0.456 ' HG3' ' N ' ' A' ' 57' ' ' VAL . 7.0 pt-20 -46.79 -35.33 6.12 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.474 1.109 . . . . 0.0 110.327 179.967 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 57' ' ' VAL . . . . . 0.487 ' CG2' ' O ' ' A' ' 54' ' ' SER . 7.2 m -88.38 -26.1 5.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.519 1.137 . . . . 0.0 109.307 179.976 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 58' ' ' GLY . . . . . 0.434 ' N ' ' O ' ' A' ' 55' ' ' ALA . . . 106.84 38.6 2.16 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.457 1.098 . . . . 0.0 110.969 179.989 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . 0.48 ' HG ' ' CG2' ' A' ' 57' ' ' VAL . 17.8 mt -87.85 137.34 32.42 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.493 0.761 . . . . 0.0 109.313 179.958 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -136.9 173.2 11.95 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.518 1.136 . . . . 0.0 110.292 179.969 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 21.3 mt -62.44 134.92 27.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.516 1.135 . . . . 0.0 109.333 179.988 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 109.74 -34.89 5.2 Favored Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.498 1.124 . . . . 0.0 111.042 -179.937 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 52.7 m-20 -50.8 96.71 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.482 0.754 . . . . 0.0 109.286 179.992 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 64' ' ' GLN . . . . . 0.566 ' HB2' ' CD2' ' A' ' 44' ' ' PHE . 42.3 tt0 -83.02 130.23 35.12 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.496 1.122 . . . . 0.0 110.311 179.978 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 65' ' ' ILE . . . . . 0.604 ' CG2' ' CG2' ' A' ' 68' ' ' VAL . 5.5 mt -82.28 108.16 14.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.493 1.121 . . . . 0.0 109.293 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . 0.409 ' CG2' ' O ' ' A' ' 94' ' ' SER . 14.4 m -97.16 -21.91 5.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.489 1.118 . . . . 0.0 109.283 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . 0.432 ' HG2' ' N ' ' A' ' 68' ' ' VAL . 42.0 tt0 -153.96 152.49 30.62 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.479 1.112 . . . . 0.0 110.3 179.998 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 68' ' ' VAL . . . . . 0.609 ' HB ' ' CE1' ' A' ' 73' ' ' PHE . 59.8 t -148.89 120.92 1.42 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.493 1.121 . . . . 0.0 109.327 179.979 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 1.1 t-20 49.26 27.23 1.79 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.448 1.093 . . . . 0.0 109.294 -179.988 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 84.94 27.09 35.3 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.484 1.115 . . . . 0.0 111.039 179.998 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 71' ' ' VAL . . . . . 0.512 ' CG2' ' O ' ' A' ' 68' ' ' VAL . 60.5 t -102.69 154.22 5.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.492 0.76 . . . . 0.0 109.317 -179.982 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 2.6 t0 -85.95 89.52 7.81 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.496 1.122 . . . . 0.0 109.292 -179.943 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 73' ' ' PHE . . . . . 0.657 ' CD1' ' CD1' ' A' ' 76' ' ' LEU . 4.3 m-85 -97.62 23.77 7.43 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.489 1.118 . . . . 0.0 110.997 -179.95 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -76.82 -27.17 55.07 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.555 1.159 . . . . 0.0 110.037 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 58.1 m-80 -147.54 49.58 1.08 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.487 1.117 . . . . 0.0 109.32 -179.965 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 76' ' ' LEU . . . . . 0.657 ' CD1' ' CD1' ' A' ' 73' ' ' PHE . 6.3 mt -88.17 -166.92 1.72 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.488 1.117 . . . . 0.0 109.298 -179.975 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 34.5 t70 -132.93 170.24 15.62 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.495 1.122 . . . . 0.0 109.303 179.985 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 78' ' ' HIS . . . . . . . . . . . . . 61.1 t-80 -70.76 -6.91 41.09 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.458 1.099 . . . . 0.0 109.627 179.973 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -108.52 -39.18 5.48 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.522 1.139 . . . . 0.0 109.294 -179.968 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 1.8 mt-10 -75.52 -36.83 60.45 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.463 1.102 . . . . 0.0 110.336 179.994 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -72.03 -41.23 67.74 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.546 1.154 . . . . 0.0 109.281 179.995 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 82' ' ' VAL . . . . . 0.461 ' O ' ' N ' ' A' ' 86' ' ' LYS . 41.9 t -69.44 -40.08 79.44 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.521 1.138 . . . . 0.0 109.287 -179.966 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 83' ' ' ASN . . . . . 0.48 ' HA ' ' CD ' ' A' ' 86' ' ' LYS . 9.5 t30 -60.15 -49.74 76.44 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.535 1.147 . . . . 0.0 109.306 -179.985 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 84' ' ' VAL . . . . . 0.409 HG13 ' CG2' ' A' ' 71' ' ' VAL . 64.3 t -67.78 -21.08 26.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.48 1.113 . . . . 0.0 109.319 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 32.9 mt -87.16 -26.57 23.52 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.493 1.121 . . . . 0.0 109.296 -179.994 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 86' ' ' LYS . . . . . 0.48 ' CD ' ' HA ' ' A' ' 83' ' ' ASN . 0.0 OUTLIER -102.38 -1.01 31.72 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.521 1.138 . . . . 0.0 109.343 179.964 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 87' ' ' SER . . . . . 0.452 ' N ' ' O ' ' A' ' 83' ' ' ASN . 19.5 m -84.0 7.42 18.52 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.474 1.109 . . . . 0.0 109.977 179.988 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 88' ' ' SER . . . . . 0.41 ' OG ' HD21 ' A' ' 91' ' ' LEU . 0.0 OUTLIER -177.44 163.48 1.99 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.498 1.124 . . . . 0.0 110.002 -179.945 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 89' ' ' ARG . . . . . 0.469 ' CA ' ' HB2' ' A' ' 23' ' ' LEU . 18.8 mmt85 -89.05 -65.91 0.97 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.493 1.121 . . . . 0.0 110.316 179.983 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -80.75 108.14 14.16 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.518 1.136 . . . . 0.0 109.95 -179.982 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 91' ' ' LEU . . . . . 0.594 ' O ' ' CD1' ' A' ' 20' ' ' PHE . 0.9 OUTLIER -122.15 160.12 25.78 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.475 1.109 . . . . 0.0 109.313 179.99 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 92' ' ' THR . . . . . 0.592 ' OG1' ' CE2' ' A' ' 20' ' ' PHE . 31.1 m -115.64 98.54 6.76 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.507 1.129 . . . . 0.0 110.415 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 93' ' ' ILE . . . . . 0.469 HD13 ' CG1' ' A' ' 21' ' ' ILE . 15.6 mt -87.89 133.94 29.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.474 1.109 . . . . 0.0 109.33 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 94' ' ' SER . . . . . 0.409 ' O ' ' CG2' ' A' ' 66' ' ' VAL . 0.3 OUTLIER -118.71 96.57 5.33 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.498 1.124 . . . . 0.0 110.026 179.991 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 95' ' ' ILE . . . . . 0.466 HD13 ' CE ' ' A' ' 17' ' ' LYS . 1.7 pt -99.7 169.38 1.63 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.493 1.12 . . . . 0.0 109.305 179.983 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 96' ' ' VAL . . . . . 0.514 ' O ' ' CG1' ' A' ' 96' ' ' VAL . 74.7 t -107.57 31.32 0.91 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.542 1.151 . . . . 0.0 109.314 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 97' ' ' ALA . . . . . 0.408 ' O ' ' O ' ' A' ' 96' ' ' VAL . . . 46.73 95.03 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.506 1.129 . . . . 0.0 109.316 179.994 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . 51.49 55.1 9.91 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.463 1.102 . . . . 0.0 109.295 179.989 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -60.76 -70.55 0.17 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.472 1.108 . . . . 0.0 109.271 -179.979 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . -101.43 58.45 0.65 Allowed Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.483 1.114 . . . . 0.0 110.988 -179.981 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -70.35 -25.22 63.18 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.481 0.754 . . . . 0.0 110.314 179.983 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 8.9 pt-20 -70.71 -36.42 73.22 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.532 1.145 . . . . 0.0 110.343 179.986 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 103' ' ' LEU . . . . . 0.553 HD12 ' CE2' ' A' ' 44' ' ' PHE . 47.3 mt -40.36 -46.3 2.33 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.529 1.143 . . . . 0.0 109.337 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 104' ' ' PHE . . . . . 0.548 ' CZ ' ' O ' ' A' ' 45' ' ' ILE . 27.6 m-85 -97.63 -52.88 3.61 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.51 1.131 . . . . 0.0 110.998 179.981 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 105' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER 59.99 83.92 0.13 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.464 1.102 . . . . 0.0 110.998 179.989 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 17.7 m 63.45 121.96 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.454 1.096 . . . . 0.0 110.45 -179.973 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -148.82 159.99 43.64 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.505 1.128 . . . . 0.0 109.283 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -166.56 124.35 1.37 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.505 1.128 . . . . 0.0 110.325 -179.956 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 1.9 t -129.63 138.15 51.06 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.471 1.107 . . . . 0.0 110.018 -179.988 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . -60.63 112.03 4.23 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.473 1.108 . . . . 0.0 111.043 179.984 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 111' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 -48.03 0.18 Allowed 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.492 1.785 . . . . 0.0 110.962 -179.927 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 13.2 p -41.54 123.12 2.11 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.523 1.139 . . . . 0.0 110.01 179.998 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 1.1 t -174.82 109.65 0.12 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.48 1.112 . . . . 0.0 109.981 179.995 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.995 0 O-C-N 124.515 1.135 . . . . 0.0 110.964 -179.978 . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.994 0 N-CA-C 110.972 -0.851 . . . . 0.0 110.972 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -118.1 87.24 2.68 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.505 0.768 . . . . 0.0 110.065 179.956 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 26.3 p -76.04 148.46 37.99 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.541 1.151 . . . . 0.0 109.996 -179.953 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 164.24 145.58 4.44 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.51 1.131 . . . . 0.0 110.991 179.983 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 2.5 t 62.47 112.75 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.498 0.763 . . . . 0.0 110.02 -179.957 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 12.0 p -105.6 24.95 11.39 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.54 1.15 . . . . 0.0 110.04 179.971 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 74.1 -170.66 53.09 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.509 1.13 . . . . 0.0 111.015 179.994 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 95.1 p -134.97 144.44 50.36 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.527 0.781 . . . . 0.0 110.009 179.96 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 136.7 20.68 Favored 'Trans proline' 0 C--N 1.359 1.121 0 O-C-N 124.497 1.788 . . . . 0.0 110.982 179.981 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -119.29 -178.19 16.55 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.482 1.114 . . . . 0.0 110.994 -179.983 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 1.3 t-20 -152.72 136.35 16.07 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.524 0.779 . . . . 0.0 109.267 179.986 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 45.9 mtt180 -70.73 104.8 2.97 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.528 1.142 . . . . 0.0 110.293 179.984 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -153.59 -61.05 0.14 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.458 1.099 . . . . 0.0 110.298 179.968 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 3.4 m-20 -126.17 168.19 14.38 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.507 1.13 . . . . 0.0 109.333 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . 0.428 ' O ' ' C ' ' A' ' 96' ' ' VAL . 0.0 OUTLIER -95.32 110.82 22.78 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.512 1.133 . . . . 0.0 109.294 -179.97 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -115.67 145.47 42.71 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.539 1.149 . . . . 0.0 110.325 179.984 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . 0.47 ' CE ' HD13 ' A' ' 95' ' ' ILE . 0.1 OUTLIER -138.54 140.12 38.96 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.526 1.141 . . . . 0.0 109.325 -179.988 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -96.37 117.52 31.01 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.457 1.098 . . . . 0.0 109.285 179.995 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -118.87 116.89 52.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.54 1.15 . . . . 0.0 109.284 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -94.93 108.44 20.49 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.521 1.138 . . . . 0.0 111.023 179.974 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 21' ' ' ILE . . . . . 0.401 ' O ' ' O ' ' A' ' 89' ' ' ARG . 24.1 mm -95.27 112.18 27.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.516 1.135 . . . . 0.0 109.262 -179.967 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 8.3 p -111.55 122.24 47.3 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.519 1.137 . . . . 0.0 109.972 179.995 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 3.8 mp -101.75 76.49 1.65 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.525 1.141 . . . . 0.0 109.258 -180.0 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 4.5 m -117.01 144.21 25.33 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.482 1.114 . . . . 0.0 109.327 179.966 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 38.25 -127.39 1.67 Allowed Glycine 0 CA--C 1.529 0.957 0 O-C-N 124.477 1.11 . . . . 0.0 111.053 -179.966 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 74.9 p -56.19 -165.46 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.467 0.746 . . . . 0.0 110.062 179.951 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER 59.63 174.95 0.08 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.483 1.114 . . . . 0.0 110.301 -180.0 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . 0.403 ' O ' ' C ' ' A' ' 29' ' ' LEU . . . 165.15 131.81 1.29 Allowed Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.504 1.128 . . . . 0.0 110.984 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . 0.403 ' C ' ' O ' ' A' ' 28' ' ' GLY . 0.6 OUTLIER -40.2 129.15 2.29 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.48 0.753 . . . . 0.0 109.281 179.992 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -129.59 29.09 3.87 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.547 1.154 . . . . 0.0 111.013 179.983 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 13.0 p -117.51 139.52 50.82 Favored 'General case' 0 C--N 1.324 -0.506 0 N-CA-C 108.298 -1.001 . . . . 0.0 108.298 -179.977 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -94.61 139.66 30.9 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.546 1.154 . . . . 0.0 110.043 180.0 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 33' ' ' ILE . . . . . 0.439 ' CD1' HG23 ' A' ' 82' ' ' VAL . 6.3 pt -115.65 147.92 18.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.477 1.111 . . . . 0.0 109.298 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -136.52 170.07 16.65 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.471 1.107 . . . . 0.0 110.031 179.978 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 79.2 p -97.59 135.39 39.48 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.45 1.094 . . . . 0.0 109.986 -179.997 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -81.57 168.43 49.77 Favored Glycine 0 CA--C 1.531 1.049 0 O-C-N 124.494 1.121 . . . . 0.0 110.972 -179.966 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 -169.52 0.64 Allowed 'Trans proline' 0 C--N 1.359 1.128 0 O-C-N 124.565 1.824 . . . . 0.0 110.989 -179.985 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 5.4 tt -75.62 -29.99 21.27 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.504 1.128 . . . . 0.0 109.275 -179.992 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 1.9 pt20 -78.8 -27.71 44.46 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.448 1.092 . . . . 0.0 110.317 179.995 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . 0.461 ' N ' ' HD3' ' A' ' 41' ' ' PRO . 0.0 OUTLIER -137.73 62.16 33.49 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.521 1.138 . . . . 0.0 109.322 -179.983 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 41' ' ' PRO . . . . . 0.461 ' HD3' ' N ' ' A' ' 40' ' ' LYS . 18.3 Cg_endo -74.99 145.35 31.39 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.499 1.789 . . . . 0.0 111.026 179.992 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 145.18 -158.83 27.76 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.468 1.105 . . . . 0.0 111.004 -179.999 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 27.0 mm -117.61 117.9 56.63 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.542 0.789 . . . . 0.0 109.289 179.975 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 44' ' ' PHE . . . . . 0.574 ' CD2' ' HB2' ' A' ' 64' ' ' GLN . 2.9 m-85 -128.76 135.04 48.65 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.548 1.155 . . . . 0.0 110.996 -179.988 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 45' ' ' ILE . . . . . 0.428 HG22 ' N ' ' A' ' 46' ' ' SER . 13.8 mt -62.87 138.18 23.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.527 1.142 . . . . 0.0 109.265 -179.949 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 46' ' ' SER . . . . . 0.428 ' N ' HG22 ' A' ' 45' ' ' ILE . 51.1 p -104.77 -36.28 7.47 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.509 1.131 . . . . 0.0 110.005 -179.969 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 63.2 t-80 -150.67 163.17 39.19 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.539 1.149 . . . . 0.0 109.6 -179.988 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 77.4 t -146.14 120.71 2.77 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.479 1.112 . . . . 0.0 109.313 -179.989 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 18.9 mttp -67.67 156.39 89.08 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.489 1.118 . . . . 0.0 109.341 179.997 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.02 124.14 8.4 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.485 1.782 . . . . 0.0 111.017 -179.988 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 67.46 30.08 74.77 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.516 1.135 . . . . 0.0 111.009 -179.973 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 9.4 p -78.75 -174.95 4.18 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.442 0.73 . . . . 0.0 109.982 -179.988 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . 0.424 ' C ' ' HG2' ' A' ' 56' ' ' GLU . 12.4 tp -73.51 -19.59 60.88 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.552 1.157 . . . . 0.0 109.364 179.968 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 54' ' ' SER . . . . . 0.463 ' O ' ' CG2' ' A' ' 57' ' ' VAL . 0.0 OUTLIER -95.7 -36.3 11.25 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.513 1.133 . . . . 0.0 109.991 -179.999 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -68.07 -33.23 74.15 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.479 1.112 . . . . 0.0 109.286 179.997 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . 0.439 ' HG3' ' N ' ' A' ' 57' ' ' VAL . 4.6 pt-20 -61.73 -35.0 76.81 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.494 1.121 . . . . 0.0 110.309 -179.975 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 57' ' ' VAL . . . . . 0.464 ' CG2' ' HG ' ' A' ' 59' ' ' LEU . 17.8 m -83.37 -21.35 8.86 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.501 1.126 . . . . 0.0 109.312 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 100.58 36.79 3.93 Favored Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.536 1.148 . . . . 0.0 110.995 179.997 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . 0.476 ' CD2' HD12 ' A' ' 95' ' ' ILE . 19.7 mt -89.67 138.5 31.42 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.46 0.741 . . . . 0.0 109.265 -179.975 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 35.8 mt-10 -139.06 173.26 11.74 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.507 1.129 . . . . 0.0 110.338 179.977 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 44.2 mt -60.07 134.98 25.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.461 1.101 . . . . 0.0 109.303 -179.974 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 62' ' ' GLY . . . . . 0.464 ' HA3' ' CG ' ' A' ' 101' ' ' ARG . . . 112.6 -34.69 5.01 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.489 1.118 . . . . 0.0 111.029 -179.949 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 85.2 m-20 -56.32 97.29 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.529 0.782 . . . . 0.0 109.303 179.981 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 64' ' ' GLN . . . . . 0.574 ' HB2' ' CD2' ' A' ' 44' ' ' PHE . 42.8 tt0 -83.28 131.9 35.06 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.505 1.128 . . . . 0.0 110.276 -179.995 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 65' ' ' ILE . . . . . 0.59 ' CG2' ' CG2' ' A' ' 68' ' ' VAL . 35.5 mt -85.52 111.28 20.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.518 1.136 . . . . 0.0 109.297 179.998 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 15.4 m -99.61 -24.12 4.25 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.511 1.132 . . . . 0.0 109.312 179.976 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . 0.42 ' HG2' ' N ' ' A' ' 68' ' ' VAL . 29.0 tt0 -150.58 154.09 36.92 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.54 1.15 . . . . 0.0 110.294 179.985 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 68' ' ' VAL . . . . . 0.596 ' HB ' ' CE1' ' A' ' 73' ' ' PHE . 94.2 t -152.67 116.12 0.51 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.472 1.107 . . . . 0.0 109.321 -179.993 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER 55.26 19.64 3.06 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.461 1.101 . . . . 0.0 109.275 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 93.58 14.54 52.92 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.557 1.161 . . . . 0.0 110.983 179.929 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 71' ' ' VAL . . . . . 0.459 HG11 ' CD1' ' A' ' 73' ' ' PHE . 90.3 t -91.84 141.07 15.06 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.475 0.75 . . . . 0.0 109.265 -179.954 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 1.1 t70 -76.13 86.3 2.99 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.509 1.131 . . . . 0.0 109.325 179.982 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 73' ' ' PHE . . . . . 0.596 ' CE1' ' HB ' ' A' ' 68' ' ' VAL . 3.7 m-85 -90.53 19.53 5.24 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.538 1.149 . . . . 0.0 111.003 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -74.03 -56.76 4.54 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.526 1.141 . . . . 0.0 109.951 -179.952 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -114.13 45.99 1.41 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.464 1.103 . . . . 0.0 109.309 180.0 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 76' ' ' LEU . . . . . 0.586 ' CD1' ' CD1' ' A' ' 73' ' ' PHE . 4.5 mt -84.01 -165.49 1.15 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.529 1.143 . . . . 0.0 109.31 179.995 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 77' ' ' ASP . . . . . 0.403 ' OD2' ' N ' ' A' ' 79' ' ' LYS . 26.4 t70 -132.29 169.12 16.92 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.538 1.149 . . . . 0.0 109.255 -179.957 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 78' ' ' HIS . . . . . . . . . . . . . 51.4 t-80 -73.46 -7.43 51.73 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.536 1.148 . . . . 0.0 109.577 -179.963 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 79' ' ' LYS . . . . . 0.403 ' N ' ' OD2' ' A' ' 77' ' ' ASP . 9.6 mttm -109.38 -28.54 8.9 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.475 1.11 . . . . 0.0 109.308 179.978 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 3.2 mm-40 -86.0 -36.01 20.03 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.478 1.111 . . . . 0.0 110.254 -179.98 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -73.8 -20.16 60.55 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.499 1.124 . . . . 0.0 109.32 -179.972 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 82' ' ' VAL . . . . . 0.439 HG23 ' CD1' ' A' ' 33' ' ' ILE . 3.7 t -91.06 -39.1 11.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.488 1.118 . . . . 0.0 109.266 -179.976 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 83' ' ' ASN . . . . . 0.474 ' HA ' ' CD ' ' A' ' 86' ' ' LYS . 1.7 m-20 -61.18 -41.75 97.35 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.52 1.137 . . . . 0.0 109.337 179.965 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 72.4 t -73.86 -33.8 38.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.516 1.135 . . . . 0.0 109.29 -179.951 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 24.7 mt -74.26 -30.34 62.08 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.503 1.127 . . . . 0.0 109.308 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 86' ' ' LYS . . . . . 0.474 ' CD ' ' HA ' ' A' ' 83' ' ' ASN . 0.0 OUTLIER -97.92 -1.34 43.11 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.441 1.088 . . . . 0.0 109.257 -179.982 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 34.2 t -63.74 -62.29 1.75 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.537 1.148 . . . . 0.0 110.012 -179.992 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -120.79 178.34 4.74 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.518 1.136 . . . . 0.0 109.977 -179.974 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 89' ' ' ARG . . . . . 0.401 ' O ' ' O ' ' A' ' 21' ' ' ILE . 4.6 mmt180 -91.41 -58.17 2.53 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.487 1.117 . . . . 0.0 110.29 -179.972 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -81.48 109.75 16.24 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.549 1.156 . . . . 0.0 109.979 -179.971 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 1.1 mt -137.26 143.59 42.29 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.517 1.136 . . . . 0.0 109.3 179.987 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 4.2 m -101.93 102.74 13.33 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.482 1.114 . . . . 0.0 110.435 179.966 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 17.3 mt -89.2 135.14 26.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.514 1.134 . . . . 0.0 109.283 -179.981 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -117.0 106.13 13.07 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.542 1.152 . . . . 0.0 109.961 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 95' ' ' ILE . . . . . 0.476 HD12 ' CD2' ' A' ' 59' ' ' LEU . 2.2 pt -104.12 176.01 1.01 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.54 1.15 . . . . 0.0 109.308 179.966 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 96' ' ' VAL . . . . . 0.515 ' O ' ' CG1' ' A' ' 96' ' ' VAL . 78.1 t -115.48 33.82 1.25 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.459 1.1 . . . . 0.0 109.309 -179.989 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 97' ' ' ALA . . . . . 0.415 ' O ' ' O ' ' A' ' 96' ' ' VAL . . . 46.04 95.3 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.485 1.116 . . . . 0.0 109.344 179.988 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . 45.88 58.54 4.29 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.51 1.131 . . . . 0.0 109.296 -179.98 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -61.43 -67.08 0.44 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.544 1.153 . . . . 0.0 109.334 179.988 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . -104.96 58.28 0.48 Allowed Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.537 1.148 . . . . 0.0 111.007 179.973 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 101' ' ' ARG . . . . . 0.464 ' CG ' ' HA3' ' A' ' 62' ' ' GLY . 0.0 OUTLIER -72.03 -31.7 66.42 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.484 0.755 . . . . 0.0 110.303 179.995 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 5.5 pt-20 -58.12 -31.28 67.02 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.469 1.105 . . . . 0.0 110.268 -179.996 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 103' ' ' LEU . . . . . 0.42 ' CD1' ' HG2' ' A' ' 40' ' ' LYS . 43.1 mt -50.73 -45.04 58.44 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.521 1.138 . . . . 0.0 109.307 179.975 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 104' ' ' PHE . . . . . 0.421 ' CZ ' ' O ' ' A' ' 45' ' ' ILE . 41.9 m-85 -97.0 59.4 1.65 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.528 1.143 . . . . 0.0 111.044 179.966 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 105' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -97.9 91.13 5.19 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.502 1.126 . . . . 0.0 111.054 179.948 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 1.9 t -167.07 137.13 2.98 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.485 1.116 . . . . 0.0 110.369 -179.993 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -101.16 169.0 9.21 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.506 1.129 . . . . 0.0 109.292 179.979 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 1.4 ttt85 63.1 129.41 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.537 1.148 . . . . 0.0 110.229 179.964 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 14.2 p -159.63 138.84 11.1 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.507 1.129 . . . . 0.0 109.949 179.989 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . -135.26 95.59 0.26 Allowed Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.546 1.154 . . . . 0.0 110.966 -179.995 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 111' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.01 158.42 42.17 Favored 'Trans proline' 0 C--N 1.361 1.207 0 O-C-N 124.522 1.801 . . . . 0.0 111.013 179.95 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -144.08 131.15 20.56 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.493 1.121 . . . . 0.0 109.954 -179.99 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 7.1 t 56.84 -93.97 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.49 1.118 . . . . 0.0 110.033 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.977 0 O-C-N 124.519 1.137 . . . . 0.0 111.005 179.981 . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.964 0 N-CA-C 110.993 -0.843 . . . . 0.0 110.993 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 11.0 t -105.21 -58.82 1.84 Allowed 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.467 0.745 . . . . 0.0 109.959 -179.972 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 22.3 t -175.42 162.17 2.83 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.509 1.13 . . . . 0.0 110.01 179.989 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 140.12 96.59 0.32 Allowed Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.466 1.104 . . . . 0.0 111.029 -179.946 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -127.97 89.99 3.02 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.522 0.777 . . . . 0.0 109.962 -179.96 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -109.44 -26.84 9.77 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.511 1.132 . . . . 0.0 110.001 179.978 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 83.06 117.52 0.58 Allowed Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.491 1.12 . . . . 0.0 111.001 -179.991 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 33.1 m -89.41 140.34 28.46 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.476 0.751 . . . . 0.0 110.036 179.993 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.98 -53.19 0.1 Allowed 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.464 1.771 . . . . 0.0 110.992 -179.947 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 122.28 152.77 8.71 Favored Glycine 0 CA--C 1.529 0.951 0 O-C-N 124.497 1.123 . . . . 0.0 111.019 -179.99 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 1.7 m-80 -161.63 127.95 3.78 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.472 0.748 . . . . 0.0 109.327 179.965 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -126.01 126.69 44.7 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.486 1.116 . . . . 0.0 110.327 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 2.0 mt-10 -164.85 144.62 7.15 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.53 1.143 . . . . 0.0 110.335 179.997 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 2.3 t-20 -98.31 -55.18 2.84 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.518 1.137 . . . . 0.0 109.285 -179.986 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.88 171.11 2.98 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.468 1.105 . . . . 0.0 109.269 -179.97 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 23.2 mt-10 49.41 91.19 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.509 1.131 . . . . 0.0 110.273 179.986 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -112.18 143.9 42.46 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.567 1.167 . . . . 0.0 109.251 -179.977 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . 0.409 ' HD3' ' CG2' ' A' ' 92' ' ' THR . 0.0 OUTLIER -95.97 120.31 36.02 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.505 1.128 . . . . 0.0 109.291 179.982 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . 0.419 ' CG2' ' O ' ' A' ' 93' ' ' ILE . 0.2 OUTLIER -121.21 135.93 59.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.522 1.139 . . . . 0.0 109.27 -179.979 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 0.9 OUTLIER -108.76 113.93 27.28 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.44 1.088 . . . . 0.0 111.017 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 21' ' ' ILE . . . . . 0.463 ' CG1' HD11 ' A' ' 93' ' ' ILE . 20.9 mm -104.64 102.1 13.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.489 1.118 . . . . 0.0 109.297 179.977 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 7.4 t -102.19 131.69 48.57 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.465 1.103 . . . . 0.0 110.007 -179.999 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 2.7 mm? -104.03 65.47 0.81 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.507 1.129 . . . . 0.0 109.35 179.984 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . 0.461 ' CG2' ' O ' ' A' ' 24' ' ' VAL . 13.8 m -95.76 69.47 0.51 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.463 1.102 . . . . 0.0 109.296 179.999 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . 0.43 ' O ' ' N ' ' A' ' 27' ' ' ARG . . . 45.55 -167.18 0.04 OUTLIER Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.479 1.112 . . . . 0.0 111.009 179.998 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 37.0 m 61.76 -82.04 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.535 0.786 . . . . 0.0 109.967 -179.975 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . 0.43 ' N ' ' O ' ' A' ' 25' ' ' GLY . 0.7 OUTLIER -86.58 157.6 19.69 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.474 1.109 . . . . 0.0 110.283 -179.969 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . 0.404 ' O ' ' C ' ' A' ' 29' ' ' LEU . . . -147.4 133.21 4.62 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.448 1.092 . . . . 0.0 110.991 179.978 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . 0.404 ' C ' ' O ' ' A' ' 28' ' ' GLY . 0.9 OUTLIER -39.91 133.46 1.62 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.526 0.78 . . . . 0.0 109.304 -179.993 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -132.45 29.15 3.34 Favored Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.547 1.154 . . . . 0.0 110.992 -179.958 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 31' ' ' CYS . . . . . 0.408 ' SG ' ' OG ' ' A' ' 54' ' ' SER . 26.0 p -115.67 146.97 41.37 Favored 'General case' 0 C--N 1.325 -0.471 0 N-CA-C 108.322 -0.992 . . . . 0.0 108.322 179.984 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -108.19 136.5 47.75 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.515 1.134 . . . . 0.0 109.981 -179.935 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 33' ' ' ILE . . . . . 0.467 HD12 ' CG2' ' A' ' 82' ' ' VAL . 13.6 pt -107.21 144.88 15.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.485 1.116 . . . . 0.0 109.339 179.948 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 25.0 m -128.07 152.88 47.44 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.476 1.11 . . . . 0.0 110.019 179.984 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 90.2 p -83.81 139.82 32.44 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.486 1.116 . . . . 0.0 109.988 179.994 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -90.88 162.0 28.52 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.501 1.126 . . . . 0.0 111.035 179.95 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 -170.2 0.74 Allowed 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.514 1.797 . . . . 0.0 110.976 -179.982 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 5.2 tt -73.92 -29.53 26.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.46 1.1 . . . . 0.0 109.276 -179.986 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 12.6 pt20 -79.65 -28.47 40.85 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.49 1.119 . . . . 0.0 110.295 -179.972 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . 0.47 ' N ' ' HD3' ' A' ' 41' ' ' PRO . 0.0 OUTLIER -136.77 61.83 38.02 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.514 1.134 . . . . 0.0 109.299 -179.971 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 41' ' ' PRO . . . . . 0.47 ' HD3' ' N ' ' A' ' 40' ' ' LYS . 18.3 Cg_endo -74.91 146.21 32.76 Favored 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.501 1.79 . . . . 0.0 111.037 179.967 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 142.31 -160.33 27.23 Favored Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.502 1.126 . . . . 0.0 110.983 179.979 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 15.0 mm -119.81 126.03 74.9 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.474 0.749 . . . . 0.0 109.277 -179.938 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 44' ' ' PHE . . . . . 0.589 ' N ' ' CD1' ' A' ' 44' ' ' PHE . 0.8 OUTLIER -137.06 140.86 42.31 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.47 1.106 . . . . 0.0 111.016 -179.986 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 45' ' ' ILE . . . . . 0.413 HG23 ' N ' ' A' ' 46' ' ' SER . 21.6 mt -64.96 142.25 17.16 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.515 1.134 . . . . 0.0 109.288 -179.993 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 46' ' ' SER . . . . . 0.413 ' N ' HG23 ' A' ' 45' ' ' ILE . 1.1 p -110.5 -35.91 5.91 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.501 1.125 . . . . 0.0 109.958 -179.948 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 57.1 t-80 -158.95 147.87 18.55 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.505 1.128 . . . . 0.0 109.635 -179.963 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 2.5 p -150.7 131.38 4.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.503 1.127 . . . . 0.0 109.271 -179.969 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -67.15 142.23 96.89 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.525 1.141 . . . . 0.0 109.299 179.984 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.01 65.05 6.08 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.443 1.759 . . . . 0.0 111.023 179.999 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 145.21 44.64 0.04 OUTLIER Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.513 1.133 . . . . 0.0 111.016 -179.984 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 14.3 p -109.7 -148.1 0.42 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.531 0.783 . . . . 0.0 109.967 -179.975 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . 0.448 ' O ' ' CG ' ' A' ' 56' ' ' GLU . 0.8 OUTLIER -88.45 -21.64 24.12 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.483 1.114 . . . . 0.0 109.304 -179.997 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 54' ' ' SER . . . . . 0.467 ' HB3' ' CD1' ' A' ' 59' ' ' LEU . 1.1 m -95.83 -29.75 14.05 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.543 1.152 . . . . 0.0 109.94 -179.949 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -73.49 -22.61 60.1 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.496 1.122 . . . . 0.0 109.33 -179.999 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . 0.448 ' CG ' ' O ' ' A' ' 53' ' ' LEU . 3.6 pt-20 -72.88 -37.98 67.14 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.468 1.105 . . . . 0.0 110.288 -179.981 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 57' ' ' VAL . . . . . 0.504 ' CG2' ' HG ' ' A' ' 59' ' ' LEU . 0.9 OUTLIER -79.99 -26.84 12.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.475 1.109 . . . . 0.0 109.305 179.952 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 104.99 43.69 1.61 Allowed Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.477 1.11 . . . . 0.0 111.008 -179.968 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . 0.504 ' HG ' ' CG2' ' A' ' 57' ' ' VAL . 19.2 mt -91.03 147.2 23.24 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.494 0.761 . . . . 0.0 109.281 179.978 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 33.0 mt-10 -143.9 163.02 34.6 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.503 1.127 . . . . 0.0 110.257 -179.993 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 32.7 mt -55.09 124.83 8.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.486 1.116 . . . . 0.0 109.296 179.993 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 121.01 -34.35 4.06 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.478 1.111 . . . . 0.0 111.008 -179.957 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . 0.471 ' OD2' ' CD2' ' A' ' 59' ' ' LEU . 90.8 m-20 -51.52 99.86 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.481 0.753 . . . . 0.0 109.313 -179.981 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 64' ' ' GLN . . . . . 0.578 ' HB2' ' CD2' ' A' ' 44' ' ' PHE . 29.5 tt0 -83.27 136.49 34.37 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.438 1.086 . . . . 0.0 110.314 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 65' ' ' ILE . . . . . 0.583 ' CG2' ' CG2' ' A' ' 68' ' ' VAL . 26.5 mt -89.54 109.73 20.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.479 1.112 . . . . 0.0 109.356 179.973 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 18.6 m -100.59 -21.4 5.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.507 1.13 . . . . 0.0 109.355 -179.998 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . 0.424 ' HG2' ' N ' ' A' ' 68' ' ' VAL . 27.6 tt0 -152.05 151.55 31.27 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.446 1.091 . . . . 0.0 110.306 179.964 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 68' ' ' VAL . . . . . 0.583 ' CG2' ' CG2' ' A' ' 65' ' ' ILE . 86.4 t -151.21 113.78 0.53 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.492 1.12 . . . . 0.0 109.314 -179.986 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 1.1 t-20 58.56 20.73 7.89 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.523 1.139 . . . . 0.0 109.32 -179.993 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 95.31 8.87 58.42 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.472 1.107 . . . . 0.0 111.007 -179.978 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 71' ' ' VAL . . . . . 0.427 ' CG2' ' O ' ' A' ' 68' ' ' VAL . 78.4 t -83.53 158.91 3.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.491 0.76 . . . . 0.0 109.261 -179.986 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 6.1 t0 -94.71 88.17 5.29 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.509 1.131 . . . . 0.0 109.328 179.958 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 73' ' ' PHE . . . . . 0.637 ' CD1' ' CD1' ' A' ' 76' ' ' LEU . 4.0 m-85 -91.85 17.17 9.49 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.477 1.111 . . . . 0.0 110.984 180.0 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -67.15 -38.38 85.38 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.502 1.126 . . . . 0.0 109.987 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 61.2 m-80 -140.11 54.5 1.64 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.565 1.166 . . . . 0.0 109.319 179.969 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 76' ' ' LEU . . . . . 0.637 ' CD1' ' CD1' ' A' ' 73' ' ' PHE . 6.2 mt -89.25 -166.76 1.68 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.505 1.128 . . . . 0.0 109.363 179.965 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 33.9 t70 -130.46 169.56 15.36 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.515 1.134 . . . . 0.0 109.283 179.982 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 78' ' ' HIS . . . . . . . . . . . . . 61.5 t-80 -70.51 -6.97 40.07 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.534 1.146 . . . . 0.0 109.584 179.979 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -108.96 -38.02 5.69 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.516 1.135 . . . . 0.0 109.29 -179.999 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 80' ' ' GLU . . . . . 0.494 ' O ' ' CG2' ' A' ' 84' ' ' VAL . 4.1 mt-10 -77.28 -38.05 51.61 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.535 1.147 . . . . 0.0 110.274 -179.99 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -69.62 -33.77 73.14 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.532 1.145 . . . . 0.0 109.264 -179.985 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 82' ' ' VAL . . . . . 0.471 ' O ' ' N ' ' A' ' 85' ' ' LEU . 55.3 t -77.52 -57.37 5.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.516 1.135 . . . . 0.0 109.273 -179.971 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 8.6 t30 -46.42 -44.7 17.45 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.505 1.128 . . . . 0.0 109.316 179.984 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 84' ' ' VAL . . . . . 0.494 ' CG2' ' O ' ' A' ' 80' ' ' GLU . 68.9 t -62.86 -33.23 59.18 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.506 1.129 . . . . 0.0 109.336 179.961 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 85' ' ' LEU . . . . . 0.471 ' N ' ' O ' ' A' ' 82' ' ' VAL . 37.8 mt -75.38 -34.8 61.13 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.494 1.121 . . . . 0.0 109.298 -179.96 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 86' ' ' LYS . . . . . 0.471 ' O ' ' C ' ' A' ' 87' ' ' SER . 2.4 mtmt -77.54 -28.94 52.04 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.413 1.071 . . . . 0.0 109.287 179.971 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 87' ' ' SER . . . . . 0.471 ' C ' ' O ' ' A' ' 86' ' ' LYS . 40.5 t -33.87 -70.5 0.08 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.526 1.141 . . . . 0.0 110.005 -179.985 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -125.57 176.93 6.52 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.486 1.116 . . . . 0.0 109.961 -179.995 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 22.5 mmt-85 -86.84 -57.4 2.99 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.532 1.145 . . . . 0.0 110.299 179.992 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -76.68 106.07 8.12 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.5 1.125 . . . . 0.0 110.013 -179.976 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -131.21 146.67 52.42 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.55 1.156 . . . . 0.0 109.277 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 92' ' ' THR . . . . . 0.409 ' CG2' ' HD3' ' A' ' 18' ' ' LYS . 26.6 m -105.85 101.22 10.73 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.551 1.157 . . . . 0.0 110.393 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 93' ' ' ILE . . . . . 0.463 HD11 ' CG1' ' A' ' 21' ' ' ILE . 13.6 mt -89.34 133.68 30.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.47 1.106 . . . . 0.0 109.305 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -115.17 103.08 10.51 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.48 1.112 . . . . 0.0 109.985 -179.974 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 1.1 pt -100.8 166.05 2.42 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.515 1.134 . . . . 0.0 109.262 -179.982 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 96' ' ' VAL . . . . . 0.497 ' O ' ' CG1' ' A' ' 96' ' ' VAL . 74.6 t -109.34 33.69 0.77 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.523 1.139 . . . . 0.0 109.325 179.983 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . 45.4 93.29 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.501 1.126 . . . . 0.0 109.31 179.983 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 98' ' ' ALA . . . . . 0.473 ' CB ' ' HG3' ' A' ' 101' ' ' ARG . . . 47.81 58.6 4.86 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.527 1.142 . . . . 0.0 109.274 179.983 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 99' ' ' ALA . . . . . 0.449 ' CB ' ' HB ' ' A' ' 96' ' ' VAL . . . -62.32 -64.93 0.77 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.49 1.119 . . . . 0.0 109.282 -179.98 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . -105.21 57.45 0.5 Allowed Glycine 0 CA--C 1.531 1.041 0 O-C-N 124.513 1.133 . . . . 0.0 110.988 -179.982 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 101' ' ' ARG . . . . . 0.473 ' HG3' ' CB ' ' A' ' 98' ' ' ALA . 0.0 OUTLIER -67.81 -26.84 66.28 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.497 0.763 . . . . 0.0 110.329 179.975 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 4.1 tp10 -50.73 -46.81 59.28 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.508 1.13 . . . . 0.0 110.272 179.991 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 103' ' ' LEU . . . . . 0.462 ' CD1' ' HG2' ' A' ' 40' ' ' LYS . 59.8 mt -42.94 -48.79 5.95 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.527 1.142 . . . . 0.0 109.358 179.987 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 104' ' ' PHE . . . . . . . . . . . . . 5.5 m-85 -104.82 63.66 0.72 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.553 1.158 . . . . 0.0 111.003 179.985 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 105' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -109.14 127.16 53.95 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.561 1.163 . . . . 0.0 111.006 179.986 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 3.3 m 62.43 116.71 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.544 1.153 . . . . 0.0 110.397 179.991 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -162.29 144.04 10.8 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.499 1.125 . . . . 0.0 109.271 -179.982 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -130.14 113.02 13.97 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.525 1.14 . . . . 0.0 110.298 -179.985 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -114.62 -59.04 2.07 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.454 1.097 . . . . 0.0 109.991 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 112.74 -163.63 12.13 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.471 1.107 . . . . 0.0 110.96 -179.992 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 111' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 175.45 11.21 Favored 'Trans proline' 0 C--N 1.361 1.212 0 O-C-N 124.459 1.768 . . . . 0.0 110.97 -179.985 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 35.1 t -157.19 131.47 8.45 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.466 1.104 . . . . 0.0 110.008 179.923 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -57.59 170.53 0.55 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.534 1.146 . . . . 0.0 109.956 -179.955 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.996 0 O-C-N 124.48 1.113 . . . . 0.0 111.016 179.991 . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.949 0 N-CA-C 111.009 -0.837 . . . . 0.0 111.009 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -159.37 105.66 1.7 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.478 0.752 . . . . 0.0 110.037 179.964 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 58.0 p -139.49 168.15 20.47 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.492 1.12 . . . . 0.0 109.982 -179.949 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -167.49 -147.37 5.26 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.512 1.133 . . . . 0.0 110.995 179.975 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 88.8 p -141.47 164.12 31.09 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.512 0.772 . . . . 0.0 110.009 179.995 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -107.84 -27.1 10.43 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.502 1.126 . . . . 0.0 109.996 -179.981 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 93.1 80.18 1.45 Allowed Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.466 1.104 . . . . 0.0 110.972 179.936 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 31.3 m -131.42 146.67 62.97 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.475 0.75 . . . . 0.0 109.986 -179.968 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 136.89 20.92 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.486 1.782 . . . . 0.0 111.014 179.98 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 63.57 138.08 0.01 OUTLIER Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.524 1.14 . . . . 0.0 111.015 179.996 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 2.4 m120 -153.28 133.5 13.45 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.538 0.787 . . . . 0.0 109.295 -179.964 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 5.8 mtp180 62.24 159.35 0.07 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.508 1.13 . . . . 0.0 110.358 -179.985 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 6.9 tt0 65.93 62.03 0.62 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.508 1.13 . . . . 0.0 110.282 179.988 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -177.05 -74.01 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.467 1.105 . . . . 0.0 109.351 -179.973 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -99.97 170.31 8.6 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.521 1.138 . . . . 0.0 109.332 179.954 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 26.6 mt-10 47.55 87.96 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.492 1.12 . . . . 0.0 110.342 -179.971 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . 0.471 ' HD2' ' CG1' ' A' ' 19' ' ' VAL . 0.1 OUTLIER -109.92 147.22 33.81 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.444 1.09 . . . . 0.0 109.288 -179.96 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -95.88 128.78 43.06 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.497 1.123 . . . . 0.0 109.334 179.965 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . 0.491 ' CG2' ' O ' ' A' ' 93' ' ' ILE . 23.9 m -125.4 156.58 34.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.481 1.113 . . . . 0.0 109.32 -179.985 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 20' ' ' PHE . . . . . 0.603 ' CE1' ' OG1' ' A' ' 92' ' ' THR . 2.3 t80 -131.23 111.48 11.95 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.49 1.119 . . . . 0.0 110.951 -179.986 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 21' ' ' ILE . . . . . 0.468 ' O ' ' CG2' ' A' ' 21' ' ' ILE . 1.1 mp -95.26 101.92 13.0 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.484 1.115 . . . . 0.0 109.31 -179.987 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 27.2 t -95.04 109.81 21.81 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.501 1.126 . . . . 0.0 109.952 -179.936 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . 0.468 ' CD2' ' HA2' ' A' ' 28' ' ' GLY . 0.4 OUTLIER -83.66 71.85 10.36 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.474 1.109 . . . . 0.0 109.31 179.967 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 3.4 m -129.2 165.44 29.09 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 O-C-N 124.517 1.136 . . . . 0.0 109.286 -179.978 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 76.91 -92.24 1.02 Allowed Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.475 1.109 . . . . 0.0 111.007 179.973 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -162.41 74.77 0.42 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.436 0.727 . . . . 0.0 109.999 -179.991 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . 0.466 ' CZ ' ' O ' ' A' ' 51' ' ' GLY . 4.7 mtt180 -157.27 173.47 16.9 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.52 1.138 . . . . 0.0 110.314 179.994 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . 0.468 ' HA2' ' CD2' ' A' ' 23' ' ' LEU . . . -173.05 57.38 0.15 Allowed Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.461 1.1 . . . . 0.0 110.966 179.974 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER 62.39 107.57 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.483 0.754 . . . . 0.0 109.309 -179.984 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . 0.428 ' O ' ' N ' ' A' ' 49' ' ' LYS . . . -101.65 40.87 2.28 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.489 1.118 . . . . 0.0 111.017 179.987 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 31' ' ' CYS . . . . . 0.427 ' CB ' HG21 ' A' ' 48' ' ' VAL . 27.9 p -139.05 142.48 38.2 Favored 'General case' 0 C--N 1.325 -0.48 0 N-CA-C 108.289 -1.004 . . . . 0.0 108.289 -179.98 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -88.14 133.25 34.05 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.48 1.113 . . . . 0.0 110.049 179.934 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 9.7 pt -112.8 143.19 23.0 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.528 0 O-C-N 124.529 1.143 . . . . 0.0 109.287 -179.98 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -137.55 166.23 24.4 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.459 1.099 . . . . 0.0 109.998 -179.988 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 61.6 m -104.17 133.23 49.44 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.499 1.125 . . . . 0.0 109.934 -179.983 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -72.99 178.06 41.06 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.525 1.14 . . . . 0.0 111.013 179.954 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 -171.4 0.97 Allowed 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.519 1.8 . . . . 0.0 110.97 -179.969 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 5.4 tt -73.38 -30.14 29.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.543 1.152 . . . . 0.0 109.29 -179.959 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 16.7 pt20 -77.64 -29.77 51.84 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.483 1.115 . . . . 0.0 110.309 179.997 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . 0.457 ' N ' ' HD3' ' A' ' 41' ' ' PRO . 22.6 tttp -137.77 62.53 35.03 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.505 1.128 . . . . 0.0 109.314 179.972 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 41' ' ' PRO . . . . . 0.457 ' HD3' ' N ' ' A' ' 40' ' ' LYS . 18.4 Cg_endo -75.01 146.99 33.26 Favored 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.517 1.799 . . . . 0.0 110.995 179.979 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 154.58 -168.04 32.65 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.528 1.142 . . . . 0.0 110.977 -179.966 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 14.6 mm -117.47 115.19 47.88 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.531 0.783 . . . . 0.0 109.292 -179.994 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 44' ' ' PHE . . . . . 0.595 ' CD2' ' HB2' ' A' ' 64' ' ' GLN . 2.2 m-85 -123.88 157.82 33.34 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.472 1.108 . . . . 0.0 111.001 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 45' ' ' ILE . . . . . 0.595 ' O ' ' CZ ' ' A' ' 104' ' ' PHE . 20.4 mt -86.26 142.72 12.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.447 1.092 . . . . 0.0 109.31 -179.977 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 46' ' ' SER . . . . . 0.497 ' HA ' ' CE1' ' A' ' 104' ' ' PHE . 1.0 OUTLIER -105.78 -37.4 6.72 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.485 1.116 . . . . 0.0 110.018 179.982 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 59.4 t-80 -151.28 166.44 30.94 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.483 1.114 . . . . 0.0 109.585 -179.976 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 48' ' ' VAL . . . . . 0.427 HG21 ' CB ' ' A' ' 31' ' ' CYS . 17.2 t -142.86 138.94 27.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.471 1.107 . . . . 0.0 109.275 -179.992 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . 0.428 ' N ' ' O ' ' A' ' 30' ' ' GLY . 11.1 mttt -88.39 155.59 51.37 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.519 1.137 . . . . 0.0 109.276 179.984 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 105.57 2.11 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.468 1.773 . . . . 0.0 111.032 179.957 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . 0.466 ' O ' ' CZ ' ' A' ' 27' ' ' ARG . . . 81.1 53.16 4.01 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.451 1.094 . . . . 0.0 110.97 179.976 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 79.1 p -111.88 -171.4 1.84 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.518 0.775 . . . . 0.0 109.973 -179.968 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . 0.455 ' CD2' ' HG ' ' A' ' 23' ' ' LEU . 1.5 tp -68.99 -15.43 63.48 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.494 1.121 . . . . 0.0 109.261 -179.953 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 54' ' ' SER . . . . . 0.481 ' O ' ' CG2' ' A' ' 57' ' ' VAL . 0.0 OUTLIER -94.1 -45.21 7.65 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.505 1.128 . . . . 0.0 109.987 -179.983 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . 0.445 ' O ' ' N ' ' A' ' 58' ' ' GLY . . . -66.53 -46.57 75.71 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.557 1.161 . . . . 0.0 109.31 179.989 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . 0.455 ' HG3' ' N ' ' A' ' 57' ' ' VAL . 11.5 pt-20 -44.63 -33.25 1.74 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.519 1.137 . . . . 0.0 110.298 -179.99 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 57' ' ' VAL . . . . . 0.481 ' CG2' ' O ' ' A' ' 54' ' ' SER . 34.6 m -95.04 -25.77 4.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.516 1.135 . . . . 0.0 109.319 179.959 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 58' ' ' GLY . . . . . 0.445 ' N ' ' O ' ' A' ' 55' ' ' ALA . . . 102.96 36.27 3.47 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.515 1.134 . . . . 0.0 111.044 -179.967 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . 0.46 ' HG ' ' CG2' ' A' ' 57' ' ' VAL . 18.0 mt -81.7 138.26 35.27 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.505 0.767 . . . . 0.0 109.269 -179.981 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 46.0 mt-10 -134.55 167.42 20.82 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.519 1.137 . . . . 0.0 110.295 179.981 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 61' ' ' ILE . . . . . 0.468 ' O ' ' CG ' ' A' ' 101' ' ' ARG . 36.6 mt -56.93 135.62 20.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.506 1.129 . . . . 0.0 109.321 179.948 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 107.23 -31.36 8.19 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.481 1.113 . . . . 0.0 111.016 -179.987 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 37.6 m-20 -54.2 97.54 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.499 0.764 . . . . 0.0 109.311 179.992 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 64' ' ' GLN . . . . . 0.595 ' HB2' ' CD2' ' A' ' 44' ' ' PHE . 36.1 tt0 -83.2 125.05 31.13 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.489 1.118 . . . . 0.0 110.254 -179.948 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 65' ' ' ILE . . . . . 0.612 ' CG2' ' CG2' ' A' ' 68' ' ' VAL . 20.0 mt -75.87 108.32 7.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.537 1.148 . . . . 0.0 109.302 179.938 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 20.9 m -99.34 -21.37 5.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.502 1.126 . . . . 0.0 109.338 179.932 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . 0.423 ' HG2' ' N ' ' A' ' 68' ' ' VAL . 36.1 tt0 -153.26 153.02 31.84 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.536 1.148 . . . . 0.0 110.275 -179.984 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 68' ' ' VAL . . . . . 0.612 ' CG2' ' CG2' ' A' ' 65' ' ' ILE . 94.3 t -152.64 115.38 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.529 1.143 . . . . 0.0 109.326 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER 56.36 24.11 8.02 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.484 1.115 . . . . 0.0 109.285 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 89.23 18.39 53.37 Favored Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.507 1.129 . . . . 0.0 110.969 179.968 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 71' ' ' VAL . . . . . 0.447 ' CG2' ' O ' ' A' ' 68' ' ' VAL . 86.6 t -93.63 158.68 2.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.535 0.785 . . . . 0.0 109.322 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 8.6 t0 -92.53 86.46 5.63 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.506 1.129 . . . . 0.0 109.293 -179.952 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 73' ' ' PHE . . . . . 0.584 ' CD1' HD11 ' A' ' 76' ' ' LEU . 4.6 m-85 -93.44 25.68 3.32 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.497 1.123 . . . . 0.0 111.021 -179.983 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -81.02 -34.93 32.5 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.5 1.125 . . . . 0.0 110.033 179.963 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 20.5 m120 -136.58 46.08 2.26 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.499 1.125 . . . . 0.0 109.297 179.995 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 76' ' ' LEU . . . . . 0.584 HD11 ' CD1' ' A' ' 73' ' ' PHE . 6.3 mt -84.72 -166.83 1.58 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.469 1.106 . . . . 0.0 109.32 -179.985 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 39.0 t70 -132.65 170.21 15.55 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.499 1.124 . . . . 0.0 109.285 179.999 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 78' ' ' HIS . . . . . . . . . . . . . 64.3 t-80 -71.39 -6.18 38.26 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.453 1.096 . . . . 0.0 109.583 179.996 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 18.0 mttt -109.39 -37.06 5.84 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.472 1.107 . . . . 0.0 109.34 179.97 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 9.4 mt-10 -77.91 -36.3 49.64 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.522 1.138 . . . . 0.0 110.262 -179.979 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -72.02 -31.89 66.63 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.557 1.161 . . . . 0.0 109.289 -179.976 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 82' ' ' VAL . . . . . 0.463 ' O ' ' N ' ' A' ' 86' ' ' LYS . 21.0 t -81.19 -40.2 18.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.52 1.138 . . . . 0.0 109.299 -179.983 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 36.1 t30 -62.03 -42.97 99.74 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.496 1.122 . . . . 0.0 109.289 179.989 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 78.5 t -73.99 -30.46 27.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.451 1.094 . . . . 0.0 109.276 -179.968 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 19.0 mt -76.85 -31.08 56.61 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.527 1.142 . . . . 0.0 109.259 -179.96 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 86' ' ' LYS . . . . . 0.463 ' N ' ' O ' ' A' ' 82' ' ' VAL . 8.9 ptpt -94.03 -9.37 37.01 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.488 1.118 . . . . 0.0 109.312 -179.99 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -53.62 -62.72 1.47 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.513 1.133 . . . . 0.0 109.983 -179.95 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 88' ' ' SER . . . . . 0.427 ' O ' ' CD1' ' A' ' 91' ' ' LEU . 0.2 OUTLIER -120.86 164.91 15.93 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.499 1.124 . . . . 0.0 109.973 179.993 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 89' ' ' ARG . . . . . 0.468 ' CA ' ' HB2' ' A' ' 23' ' ' LEU . 50.9 mmt-85 -74.06 -64.65 0.97 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.518 1.137 . . . . 0.0 110.284 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 1.1 m -81.25 122.44 27.42 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.546 1.154 . . . . 0.0 109.975 -179.96 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 91' ' ' LEU . . . . . 0.427 ' CD1' ' O ' ' A' ' 88' ' ' SER . 1.0 OUTLIER -140.94 149.21 41.56 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.521 1.138 . . . . 0.0 109.277 179.996 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 92' ' ' THR . . . . . 0.603 ' OG1' ' CE1' ' A' ' 20' ' ' PHE . 16.0 m -104.78 100.9 10.53 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.525 1.141 . . . . 0.0 110.424 179.971 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 93' ' ' ILE . . . . . 0.491 ' O ' ' CG2' ' A' ' 19' ' ' VAL . 22.7 mt -89.19 141.2 14.64 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.481 1.113 . . . . 0.0 109.308 -179.993 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -121.26 103.63 9.13 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.465 1.103 . . . . 0.0 110.007 -179.981 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 95' ' ' ILE . . . . . 0.463 ' CD1' ' HE2' ' A' ' 17' ' ' LYS . 1.1 pt -100.1 166.86 2.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.508 1.13 . . . . 0.0 109.33 179.994 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 96' ' ' VAL . . . . . 0.5 ' O ' ' CG1' ' A' ' 96' ' ' VAL . 71.0 t -108.28 31.5 0.96 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.491 1.119 . . . . 0.0 109.263 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 97' ' ' ALA . . . . . 0.413 ' O ' ' O ' ' A' ' 96' ' ' VAL . . . 47.27 96.04 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.557 1.16 . . . . 0.0 109.313 -179.976 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . 45.78 58.09 4.59 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.574 1.171 . . . . 0.0 109.299 179.994 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 99' ' ' ALA . . . . . 0.442 ' CB ' ' HB ' ' A' ' 96' ' ' VAL . . . -64.09 -61.54 2.2 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.439 1.087 . . . . 0.0 109.295 -179.962 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . -111.53 60.0 0.35 Allowed Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.509 1.13 . . . . 0.0 110.988 179.97 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 101' ' ' ARG . . . . . 0.468 ' CG ' ' O ' ' A' ' 61' ' ' ILE . 0.0 OUTLIER -72.06 -24.9 61.59 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.539 0.787 . . . . 0.0 110.3 179.965 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -70.48 -22.73 62.64 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.459 1.1 . . . . 0.0 110.301 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 21.1 mt -61.86 -21.71 64.91 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.534 1.146 . . . . 0.0 109.264 179.963 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 104' ' ' PHE . . . . . 0.595 ' CZ ' ' O ' ' A' ' 45' ' ' ILE . 56.9 m-85 -118.51 48.21 1.48 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.531 1.144 . . . . 0.0 110.998 179.989 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 105' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -73.55 103.73 4.26 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.562 1.164 . . . . 0.0 111.016 179.993 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 22.7 m 60.45 152.29 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.487 1.117 . . . . 0.0 110.422 -179.971 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 3.3 p30 -176.86 155.67 1.27 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.537 1.148 . . . . 0.0 109.284 179.998 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -105.82 145.36 31.29 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.528 1.142 . . . . 0.0 110.311 179.949 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 9.6 t -152.16 107.75 3.33 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.483 1.115 . . . . 0.0 110.003 -179.961 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . -125.76 -174.35 13.88 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.493 1.12 . . . . 0.0 110.997 179.989 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 111' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 159.23 41.58 Favored 'Trans proline' 0 C--N 1.361 1.198 0 O-C-N 124.469 1.773 . . . . 0.0 111.014 179.96 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 26.1 p -171.04 132.81 0.85 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.494 1.121 . . . . 0.0 109.981 -179.985 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 14.7 m -160.57 123.33 3.3 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.522 1.139 . . . . 0.0 110.002 179.963 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.025 0 O-C-N 124.515 1.135 . . . . 0.0 110.999 -179.98 . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.992 0 N-CA-C 111.035 -0.826 . . . . 0.0 111.035 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 46.7 t -168.74 99.69 0.39 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.531 0.783 . . . . 0.0 110.001 179.995 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 33.2 p -127.39 150.07 49.79 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.506 1.129 . . . . 0.0 109.999 -180.0 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 143.86 177.04 18.44 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.486 1.116 . . . . 0.0 111.0 179.973 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 61.55 101.1 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.529 0.782 . . . . 0.0 110.038 -179.945 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -109.75 -27.2 9.45 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.513 1.133 . . . . 0.0 109.941 -179.955 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 65.44 139.89 0.03 OUTLIER Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.508 1.13 . . . . 0.0 111.052 -179.975 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 4.6 t -125.11 147.42 57.03 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.465 0.744 . . . . 0.0 109.981 -179.966 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.93 -177.54 3.52 Favored 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.473 1.775 . . . . 0.0 111.021 179.993 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -170.18 88.2 0.09 OUTLIER Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.533 1.146 . . . . 0.0 110.988 -179.988 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 19.4 m120 -153.13 130.87 11.6 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.47 0.747 . . . . 0.0 109.273 179.989 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 8.9 tmm_? -179.03 119.99 0.07 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.452 1.095 . . . . 0.0 110.293 179.975 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -125.72 -64.39 1.06 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.424 1.077 . . . . 0.0 110.319 179.998 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -45.19 168.26 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.546 1.154 . . . . 0.0 109.311 179.97 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . 0.434 ' O ' ' C ' ' A' ' 96' ' ' VAL . 3.5 tptm -90.85 109.6 20.81 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.492 1.12 . . . . 0.0 109.316 179.985 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -115.23 144.37 43.82 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.501 1.126 . . . . 0.0 110.317 179.984 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . 0.42 ' CG ' HG13 ' A' ' 95' ' ' ILE . 0.0 OUTLIER -132.43 143.83 50.07 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.507 1.129 . . . . 0.0 109.363 179.971 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -100.82 112.03 24.36 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.473 1.108 . . . . 0.0 109.298 -179.95 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . 0.41 ' CG1' HG22 ' A' ' 57' ' ' VAL . 3.6 m -117.37 130.25 72.56 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.523 1.139 . . . . 0.0 109.292 -179.971 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 20' ' ' PHE . . . . . 0.415 ' CD1' ' O ' ' A' ' 91' ' ' LEU . 0.1 OUTLIER -108.11 110.28 21.9 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.443 1.089 . . . . 0.0 110.995 179.977 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 20.6 mm -97.01 121.05 47.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.435 1.084 . . . . 0.0 109.261 -179.964 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 82.6 p -118.7 119.54 34.76 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.546 1.154 . . . . 0.0 109.996 -179.993 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -91.31 53.5 2.33 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.523 1.14 . . . . 0.0 109.276 -179.97 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 3.6 m -123.37 167.6 16.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.505 1.128 . . . . 0.0 109.316 179.952 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 49.04 -172.55 0.06 OUTLIER Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.492 1.12 . . . . 0.0 111.008 -179.99 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 54.5 m -68.18 79.59 0.24 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.506 0.768 . . . . 0.0 110.005 179.953 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -170.77 106.22 0.27 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.465 1.103 . . . . 0.0 110.3 179.956 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -114.74 149.57 18.81 Favored Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.478 1.111 . . . . 0.0 110.977 -179.983 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 1.1 tp -61.53 149.0 40.27 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.526 0.78 . . . . 0.0 109.303 179.97 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -146.45 31.24 1.54 Allowed Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.516 1.135 . . . . 0.0 110.962 179.994 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 31' ' ' CYS . . . . . 0.401 ' HA ' ' O ' ' A' ' 47' ' ' HIS . 26.5 p -119.27 147.13 44.63 Favored 'General case' 0 C--N 1.324 -0.51 0 N-CA-C 108.312 -0.995 . . . . 0.0 108.312 179.945 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -109.45 135.44 50.48 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.52 1.137 . . . . 0.0 109.983 -179.971 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 14.9 pt -104.66 152.65 6.7 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 O-C-N 124.505 1.128 . . . . 0.0 109.281 -179.945 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 59.1 p -132.42 159.21 39.95 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.509 1.131 . . . . 0.0 109.967 -179.96 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 24.3 p -88.1 147.93 24.7 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.5 1.125 . . . . 0.0 110.025 179.984 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -104.08 160.4 16.02 Favored Glycine 0 CA--C 1.53 0.969 0 O-C-N 124.496 1.123 . . . . 0.0 110.985 -179.97 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 -166.64 0.36 Allowed 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.504 1.792 . . . . 0.0 110.978 -179.96 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 0.8 OUTLIER -76.65 -30.48 18.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.524 1.14 . . . . 0.0 109.307 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 7.7 pt20 -79.29 -28.31 42.24 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.489 1.118 . . . . 0.0 110.281 -179.996 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . 0.475 ' N ' ' HD3' ' A' ' 41' ' ' PRO . 0.0 OUTLIER -136.22 61.26 38.3 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.533 1.145 . . . . 0.0 109.298 -179.972 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 41' ' ' PRO . . . . . 0.475 ' HD3' ' N ' ' A' ' 40' ' ' LYS . 18.4 Cg_endo -74.97 146.72 33.12 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.5 1.79 . . . . 0.0 111.037 179.984 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 138.09 -168.67 24.5 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.492 1.12 . . . . 0.0 111.001 -179.982 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 14.4 mm -109.85 123.99 66.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.475 0.75 . . . . 0.0 109.295 -179.991 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 44' ' ' PHE . . . . . 0.577 ' CD2' ' HB2' ' A' ' 64' ' ' GLN . 1.4 m-85 -129.67 139.83 51.29 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.483 1.115 . . . . 0.0 110.991 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 45' ' ' ILE . . . . . 0.608 ' O ' ' CZ ' ' A' ' 104' ' ' PHE . 8.6 mt -63.88 147.21 12.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.48 1.113 . . . . 0.0 109.298 179.954 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 46' ' ' SER . . . . . 0.435 ' HG ' ' N ' ' A' ' 47' ' ' HIS . 1.5 p -117.17 -37.62 3.51 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.492 1.12 . . . . 0.0 110.026 179.978 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 47' ' ' HIS . . . . . 0.435 ' N ' ' HG ' ' A' ' 46' ' ' SER . 57.3 t-80 -158.96 147.68 18.4 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.493 1.121 . . . . 0.0 109.613 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 2.5 p -150.69 131.52 4.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.535 1.147 . . . . 0.0 109.282 179.978 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -67.5 142.52 96.39 Favored Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.457 1.098 . . . . 0.0 109.325 180.0 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 55.33 3.9 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.497 1.788 . . . . 0.0 111.016 179.979 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 158.91 42.63 0.02 OUTLIER Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.48 1.113 . . . . 0.0 110.984 179.995 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 26.6 p -108.43 -152.01 0.48 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.55 0.794 . . . . 0.0 110.032 -179.998 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . 0.474 ' O ' ' CG ' ' A' ' 56' ' ' GLU . 0.8 OUTLIER -86.83 -20.6 27.28 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.506 1.129 . . . . 0.0 109.274 179.985 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 54' ' ' SER . . . . . 0.482 ' HB3' ' CD1' ' A' ' 59' ' ' LEU . 0.7 OUTLIER -94.66 -30.93 14.07 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.469 1.106 . . . . 0.0 110.028 179.962 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -70.36 -19.88 63.01 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.491 1.12 . . . . 0.0 109.307 179.975 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . 0.474 ' CG ' ' O ' ' A' ' 53' ' ' LEU . 2.3 pt-20 -78.01 -33.67 51.11 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.563 1.164 . . . . 0.0 110.309 179.988 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 57' ' ' VAL . . . . . 0.511 ' CG2' ' HG ' ' A' ' 59' ' ' LEU . 0.9 OUTLIER -83.68 -23.91 7.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.478 1.111 . . . . 0.0 109.297 -179.963 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 100.86 39.09 3.22 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.436 1.085 . . . . 0.0 110.957 179.954 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . 0.511 ' HG ' ' CG2' ' A' ' 57' ' ' VAL . 13.4 mt -84.8 148.71 26.18 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.505 0.768 . . . . 0.0 109.368 179.943 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 33.8 mt-10 -145.47 162.87 36.33 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.505 1.128 . . . . 0.0 110.318 -179.993 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 61' ' ' ILE . . . . . 0.444 ' O ' ' NH1' ' A' ' 101' ' ' ARG . 42.5 mt -56.05 124.25 8.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.532 1.145 . . . . 0.0 109.312 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 121.27 -38.64 2.6 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.447 1.092 . . . . 0.0 111.022 -179.942 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . 0.471 ' OD2' ' CD2' ' A' ' 59' ' ' LEU . 92.1 m-20 -48.04 98.0 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.514 0.773 . . . . 0.0 109.275 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 64' ' ' GLN . . . . . 0.577 ' HB2' ' CD2' ' A' ' 44' ' ' PHE . 5.1 tt0 -83.11 134.4 35.0 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.477 1.11 . . . . 0.0 110.312 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 65' ' ' ILE . . . . . 0.611 ' CG2' ' CG2' ' A' ' 68' ' ' VAL . 7.2 mt -88.51 110.62 21.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.483 1.114 . . . . 0.0 109.316 179.974 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 19.4 m -100.67 -21.65 5.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.48 1.112 . . . . 0.0 109.271 -179.997 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . 0.451 ' HG2' ' N ' ' A' ' 68' ' ' VAL . 48.6 tt0 -150.69 152.77 34.43 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.52 1.138 . . . . 0.0 110.3 179.958 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 68' ' ' VAL . . . . . 0.611 ' CG2' ' CG2' ' A' ' 65' ' ' ILE . 85.0 t -152.6 121.34 0.76 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.494 1.121 . . . . 0.0 109.255 -179.93 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 69' ' ' ASN . . . . . 0.403 ' N ' ' O ' ' A' ' 92' ' ' THR . 1.1 t-20 49.69 28.81 2.8 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.513 1.133 . . . . 0.0 109.3 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 84.37 24.67 46.34 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.485 1.115 . . . . 0.0 110.987 179.986 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 71' ' ' VAL . . . . . 0.501 ' CG2' ' O ' ' A' ' 68' ' ' VAL . 94.9 t -99.56 158.99 3.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.505 0.767 . . . . 0.0 109.261 -179.982 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 6.1 t0 -94.65 88.9 5.56 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.419 1.075 . . . . 0.0 109.286 179.981 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 73' ' ' PHE . . . . . 0.591 ' CE1' ' HB ' ' A' ' 68' ' ' VAL . 4.5 m-85 -93.97 12.78 24.96 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.492 1.12 . . . . 0.0 110.957 -179.976 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -64.04 -37.05 86.02 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.498 1.124 . . . . 0.0 109.963 -179.971 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 54.9 m-80 -141.1 55.8 1.55 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.498 1.124 . . . . 0.0 109.295 -179.998 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 76' ' ' LEU . . . . . 0.581 ' CD1' ' CD1' ' A' ' 73' ' ' PHE . 5.6 mt -88.97 -166.17 1.53 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.479 1.112 . . . . 0.0 109.299 -179.989 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 20.4 t70 -129.93 169.01 15.77 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.493 1.121 . . . . 0.0 109.323 179.996 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 78' ' ' HIS . . . . . . . . . . . . . 64.9 t-80 -70.97 -6.61 40.03 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.502 1.126 . . . . 0.0 109.618 179.961 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 4.7 mttm -110.1 -37.88 5.46 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.522 1.139 . . . . 0.0 109.323 179.994 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 12.2 mt-10 -76.31 -34.92 59.03 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.56 1.162 . . . . 0.0 110.28 179.995 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -72.73 -35.93 67.64 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.434 1.084 . . . . 0.0 109.28 -179.988 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 82' ' ' VAL . . . . . 0.469 HG12 ' CE ' ' A' ' 86' ' ' LYS . 45.7 t -78.83 -36.15 18.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.499 1.124 . . . . 0.0 109.287 179.997 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 83' ' ' ASN . . . . . 0.43 ' O ' ' N ' ' A' ' 87' ' ' SER . 20.1 t30 -64.19 -47.15 80.89 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.51 1.131 . . . . 0.0 109.36 -180.0 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 77.8 t -68.51 -30.57 47.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.494 1.121 . . . . 0.0 109.288 179.971 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 23.4 mt -76.25 -40.18 52.55 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.531 1.144 . . . . 0.0 109.263 -179.974 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 86' ' ' LYS . . . . . 0.469 ' CE ' HG12 ' A' ' 82' ' ' VAL . 9.2 ptpt -86.49 -5.92 59.03 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.528 1.142 . . . . 0.0 109.339 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 87' ' ' SER . . . . . 0.43 ' N ' ' O ' ' A' ' 83' ' ' ASN . 0.2 OUTLIER -57.22 -52.26 66.03 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.486 1.116 . . . . 0.0 110.023 -179.987 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -133.87 176.04 8.93 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.503 1.127 . . . . 0.0 109.987 179.962 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 5.9 mmt180 -86.91 -60.33 2.01 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.522 1.139 . . . . 0.0 110.277 -179.977 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -81.53 116.21 21.2 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.493 1.121 . . . . 0.0 110.015 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 91' ' ' LEU . . . . . 0.415 ' O ' ' CD1' ' A' ' 20' ' ' PHE . 1.0 OUTLIER -139.93 149.27 43.11 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.561 1.163 . . . . 0.0 109.31 -179.992 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 92' ' ' THR . . . . . 0.403 ' O ' ' N ' ' A' ' 69' ' ' ASN . 20.8 m -106.1 103.5 12.99 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.47 1.106 . . . . 0.0 110.384 -179.981 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 18.6 mt -89.68 139.41 17.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.445 1.091 . . . . 0.0 109.252 -179.981 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -123.53 100.54 6.86 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.535 1.147 . . . . 0.0 109.962 -179.983 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 95' ' ' ILE . . . . . 0.42 HG13 ' CG ' ' A' ' 17' ' ' LYS . 1.8 pt -100.19 174.27 0.99 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.478 1.111 . . . . 0.0 109.334 179.959 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 96' ' ' VAL . . . . . 0.513 ' O ' ' CG1' ' A' ' 96' ' ' VAL . 76.9 t -112.31 34.45 0.89 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.491 1.119 . . . . 0.0 109.296 -179.963 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . 45.91 93.94 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.502 1.126 . . . . 0.0 109.324 -179.984 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 98' ' ' ALA . . . . . 0.413 ' CB ' ' HG3' ' A' ' 101' ' ' ARG . . . 48.16 57.12 6.45 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.506 1.129 . . . . 0.0 109.327 -179.978 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 99' ' ' ALA . . . . . 0.426 ' CB ' ' HB ' ' A' ' 96' ' ' VAL . . . -61.15 -67.99 0.35 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.483 1.115 . . . . 0.0 109.328 -179.968 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . -102.71 57.34 0.6 Allowed Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.514 1.134 . . . . 0.0 111.007 179.986 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 101' ' ' ARG . . . . . 0.444 ' NH1' ' O ' ' A' ' 61' ' ' ILE . 0.0 OUTLIER -66.2 -33.81 76.61 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.483 0.755 . . . . 0.0 110.285 -179.996 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 14.0 pt-20 -49.95 -41.24 46.08 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.509 1.131 . . . . 0.0 110.324 -179.975 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 103' ' ' LEU . . . . . 0.542 HD12 ' CD2' ' A' ' 44' ' ' PHE . 63.9 mt -41.31 -42.82 2.29 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.499 1.124 . . . . 0.0 109.319 179.981 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 104' ' ' PHE . . . . . 0.608 ' CZ ' ' O ' ' A' ' 45' ' ' ILE . 19.2 m-85 -110.27 54.52 0.67 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.494 1.121 . . . . 0.0 111.009 179.998 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 105' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -97.62 55.81 1.25 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.522 1.139 . . . . 0.0 111.013 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 106' ' ' THR . . . . . 0.436 ' O ' ' N ' ' A' ' 108' ' ' ARG . 35.9 p -77.27 -41.77 39.62 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.448 1.093 . . . . 0.0 110.374 -179.977 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER 62.75 -82.04 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.502 1.126 . . . . 0.0 109.313 -179.972 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 108' ' ' ARG . . . . . 0.436 ' N ' ' O ' ' A' ' 106' ' ' THR . 4.1 ttp180 -40.86 136.45 1.43 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.508 1.13 . . . . 0.0 110.305 179.975 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 45.5 t -111.98 -60.13 1.9 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.53 1.144 . . . . 0.0 109.998 -179.982 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 81.76 175.63 50.49 Favored Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.489 1.118 . . . . 0.0 111.01 179.999 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 111' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.96 103.77 1.79 Allowed 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.466 1.772 . . . . 0.0 110.996 -179.971 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 30.6 t -157.46 -60.89 0.09 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.492 1.12 . . . . 0.0 110.006 179.991 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 1.9 t 75.72 -58.69 0.54 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.523 1.14 . . . . 0.0 110.022 -179.97 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.012 0 O-C-N 124.508 1.13 . . . . 0.0 111.012 179.975 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 17.0 mt-10 . . . . . 0 N--CA 1.454 -0.257 0 N-CA-C 110.249 -0.278 . . . . 0.0 110.249 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 17' ' ' LYS . . . . . 0.535 ' HE3' HD11 ' A' ' 95' ' ' ILE . 0.1 OUTLIER -110.25 149.64 29.85 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.521 1.138 . . . . 0.0 109.275 179.99 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -101.99 119.71 39.24 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.479 1.112 . . . . 0.0 109.262 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -120.9 117.32 52.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.521 1.138 . . . . 0.0 109.261 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 20' ' ' PHE . . . . . 0.575 ' CE2' ' OG1' ' A' ' 92' ' ' THR . 0.1 OUTLIER -96.35 114.19 25.84 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.497 1.123 . . . . 0.0 110.998 179.99 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 21' ' ' ILE . . . . . 0.517 HG13 HD12 ' A' ' 93' ' ' ILE . 8.6 mm -96.83 123.26 49.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.51 1.131 . . . . 0.0 109.28 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 22.4 t -111.16 123.74 50.8 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.522 1.139 . . . . 0.0 109.976 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 2.9 mm? . . . . . 0 C--N 1.324 -0.518 0 O-C-N 124.464 1.102 . . . . 0.0 109.266 -179.974 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 30' ' ' GLY . . . . . 0.413 ' N ' ' HB2' ' A' ' 52' ' ' SER . . . . . . . . 0 CA--C 1.53 0.979 0 N-CA-C 111.005 -0.838 . . . . 0.0 111.005 . . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 31' ' ' CYS . . . . . 0.462 ' HB3' HG22 ' A' ' 48' ' ' VAL . 21.8 p -110.67 149.21 30.78 Favored 'General case' 0 C--N 1.325 -0.461 0 N-CA-C 108.225 -1.028 . . . . 0.0 108.225 -179.916 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -100.36 140.42 34.63 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.464 1.102 . . . . 0.0 109.978 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 9.2 pt -113.66 145.66 19.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.483 1.114 . . . . 0.0 109.308 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -125.72 166.83 16.06 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.502 1.126 . . . . 0.0 110.038 179.973 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 16.7 p -109.14 126.77 53.58 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.5 1.125 . . . . 0.0 110.012 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -76.13 168.79 54.83 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.473 1.108 . . . . 0.0 110.983 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.04 -172.92 1.39 Allowed 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.51 1.795 . . . . 0.0 111.017 179.966 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 38' ' ' ILE . . . . . 0.422 HG22 ' H ' ' A' ' 38' ' ' ILE . 5.3 tt -71.65 -29.53 34.79 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.53 1.144 . . . . 0.0 109.307 -179.975 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 10.8 pt20 -77.44 -31.82 54.14 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.48 1.113 . . . . 0.0 110.282 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 40' ' ' LYS . . . . . 0.54 ' HD3' HD11 ' A' ' 103' ' ' LEU . 25.3 tttp -137.79 62.43 34.44 Favored Pre-proline 0 C--N 1.326 -0.454 0 O-C-N 124.467 1.105 . . . . 0.0 109.346 179.949 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 41' ' ' PRO . . . . . 0.453 ' HD3' ' N ' ' A' ' 40' ' ' LYS . 18.4 Cg_endo -74.96 144.97 31.05 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.508 1.794 . . . . 0.0 110.999 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 156.69 -168.19 33.77 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.443 1.089 . . . . 0.0 111.022 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 43' ' ' ILE . . . . . 0.49 HG22 HD12 ' A' ' 65' ' ' ILE . 6.9 mm -118.51 115.24 47.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.499 0.764 . . . . 0.0 109.294 179.96 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 44' ' ' PHE . . . . . 0.571 ' CD2' ' HB2' ' A' ' 64' ' ' GLN . 2.2 m-85 -121.65 147.59 45.67 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.45 1.094 . . . . 0.0 111.012 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 19.3 mt -76.41 140.3 17.45 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.462 1.101 . . . . 0.0 109.318 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -105.49 -38.37 6.48 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.497 1.123 . . . . 0.0 109.996 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 47' ' ' HIS . . . . . 0.41 ' O ' ' HA ' ' A' ' 31' ' ' CYS . 60.4 t-80 -153.64 157.39 39.55 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.477 1.111 . . . . 0.0 109.595 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 48' ' ' VAL . . . . . 0.462 HG22 ' HB3' ' A' ' 31' ' ' CYS . 52.7 t . . . . . 0 C--N 1.325 -0.475 0 O-C-N 124.519 1.137 . . . . 0.0 109.317 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 52' ' ' SER . . . . . 0.413 ' HB2' ' N ' ' A' ' 30' ' ' GLY . 34.7 p . . . . . 0 N--CA 1.453 -0.311 0 N-CA-C 110.007 -0.368 . . . . 0.0 110.007 . . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 53' ' ' LEU . . . . . 0.639 HD13 ' CD ' ' A' ' 56' ' ' GLU . 0.1 OUTLIER -65.07 -19.99 66.26 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.535 1.147 . . . . 0.0 109.256 -179.964 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 54' ' ' SER . . . . . 0.54 ' O ' HG22 ' A' ' 57' ' ' VAL . 0.1 OUTLIER -94.55 -32.62 13.38 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.458 1.099 . . . . 0.0 110.01 -179.965 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -70.11 -35.5 74.18 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.507 1.129 . . . . 0.0 109.26 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 56' ' ' GLU . . . . . 0.639 ' CD ' HD13 ' A' ' 53' ' ' LEU . 6.4 pt-20 -59.79 -37.03 77.95 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.48 1.113 . . . . 0.0 110.312 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 57' ' ' VAL . . . . . 0.54 HG22 ' O ' ' A' ' 54' ' ' SER . 29.7 m -81.83 -21.35 10.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.509 1.131 . . . . 0.0 109.312 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 94.82 28.6 9.97 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.518 1.136 . . . . 0.0 111.041 -179.954 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 59' ' ' LEU . . . . . 0.485 ' HG ' HG23 ' A' ' 57' ' ' VAL . 14.9 mt -69.22 141.42 54.48 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.486 0.756 . . . . 0.0 109.298 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 18.5 mt-10 -132.71 169.4 16.73 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.487 1.117 . . . . 0.0 110.323 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 80.5 mt -62.97 132.18 28.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.49 1.119 . . . . 0.0 109.293 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 116.64 -31.75 5.81 Favored Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.462 1.101 . . . . 0.0 111.032 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 63' ' ' ASP . . . . . 0.429 ' CG ' HD13 ' A' ' 95' ' ' ILE . 75.3 m-20 -55.53 98.31 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.497 0.763 . . . . 0.0 109.308 179.93 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 64' ' ' GLN . . . . . 0.571 ' HB2' ' CD2' ' A' ' 44' ' ' PHE . 52.1 tt0 -83.13 130.51 35.12 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.49 1.119 . . . . 0.0 110.291 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 65' ' ' ILE . . . . . 0.731 HG23 HG23 ' A' ' 93' ' ' ILE . 19.0 mt -83.89 108.4 16.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.466 1.104 . . . . 0.0 109.289 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 66' ' ' VAL . . . . . 0.656 HG22 ' O ' ' A' ' 94' ' ' SER . 9.3 m -98.1 -24.66 4.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.493 1.121 . . . . 0.0 109.32 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 67' ' ' GLU . . . . . 0.429 ' HG2' ' N ' ' A' ' 68' ' ' VAL . 29.7 tt0 -150.24 152.97 35.4 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.481 1.113 . . . . 0.0 110.264 -179.974 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 68' ' ' VAL . . . . . 0.649 ' O ' HG23 ' A' ' 71' ' ' VAL . 98.9 t -152.26 112.09 0.41 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.482 1.114 . . . . 0.0 109.308 179.957 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 69' ' ' ASN . . . . . 0.813 HD22 HD23 ' A' ' 91' ' ' LEU . 1.1 t-20 58.15 31.47 20.79 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.533 1.145 . . . . 0.0 109.329 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 81.22 22.42 60.82 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.477 1.111 . . . . 0.0 110.995 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 71' ' ' VAL . . . . . 0.649 HG23 ' O ' ' A' ' 68' ' ' VAL . 60.8 t -99.07 158.66 3.56 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.537 0.787 . . . . 0.0 109.297 179.972 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 1.9 t70 -93.43 86.66 5.32 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.536 1.148 . . . . 0.0 109.351 179.968 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 73' ' ' PHE . . . . . 0.913 ' CD1' HD12 ' A' ' 76' ' ' LEU . 4.3 m-85 -93.41 16.99 12.14 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.511 1.132 . . . . 0.0 110.987 -179.977 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -88.6 -1.79 58.25 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.53 1.144 . . . . 0.0 110.03 179.96 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 7.2 p-10 -154.62 24.35 0.46 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.532 1.145 . . . . 0.0 109.305 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 76' ' ' LEU . . . . . 0.913 HD12 ' CD1' ' A' ' 73' ' ' PHE . 7.0 mt -78.45 -167.99 1.23 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.525 1.141 . . . . 0.0 109.255 -179.967 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 16.8 t70 -134.65 175.08 9.87 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.548 1.155 . . . . 0.0 109.262 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 78' ' ' HIS . . . . . . . . . . . . . 66.1 t-80 -73.27 -6.87 48.82 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.49 1.119 . . . . 0.0 109.626 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 15.6 mmtt -108.21 -37.57 5.99 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.482 1.114 . . . . 0.0 109.309 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 80' ' ' GLU . . . . . 0.708 ' CB ' HD22 ' A' ' 76' ' ' LEU . 2.3 mm-40 -79.56 -36.31 38.47 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.536 1.148 . . . . 0.0 110.279 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 81' ' ' ALA . . . . . 0.5 ' HA ' HD13 ' A' ' 76' ' ' LEU . . . -72.45 -29.01 63.29 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.483 1.114 . . . . 0.0 109.304 -179.968 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 82' ' ' VAL . . . . . 0.747 HG12 ' CE ' ' A' ' 86' ' ' LYS . 18.0 t -80.84 -45.14 21.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.474 1.109 . . . . 0.0 109.34 179.961 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 83' ' ' ASN . . . . . 0.411 ' O ' ' N ' ' A' ' 87' ' ' SER . 43.4 t30 -59.88 -46.24 89.96 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.481 1.113 . . . . 0.0 109.306 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 84' ' ' VAL . . . . . 0.617 HG11 ' HE1' ' A' ' 73' ' ' PHE . 62.8 t -67.27 -34.44 69.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.471 1.107 . . . . 0.0 109.272 -179.951 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 85' ' ' LEU . . . . . 0.437 HD12 ' O ' ' A' ' 81' ' ' ALA . 23.6 mt -73.02 -34.9 66.63 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.506 1.129 . . . . 0.0 109.337 179.979 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 86' ' ' LYS . . . . . 0.747 ' CE ' HG12 ' A' ' 82' ' ' VAL . 0.0 OUTLIER -90.64 -3.74 57.3 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.491 1.119 . . . . 0.0 109.316 179.966 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 87' ' ' SER . . . . . 0.411 ' N ' ' O ' ' A' ' 83' ' ' ASN . 36.8 t -56.78 -66.05 0.51 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.477 1.11 . . . . 0.0 109.981 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 88' ' ' SER . . . . . 0.606 ' O ' HD11 ' A' ' 91' ' ' LEU . 0.3 OUTLIER -116.63 171.58 7.78 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.506 1.129 . . . . 0.0 109.981 -179.97 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 4.8 mmp_? -78.53 -60.71 2.26 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.465 1.103 . . . . 0.0 110.331 179.967 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 5.6 p -87.03 123.17 31.83 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.491 1.12 . . . . 0.0 110.028 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 91' ' ' LEU . . . . . 0.813 HD23 HD22 ' A' ' 69' ' ' ASN . 1.1 mt -140.71 144.89 35.85 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.491 1.119 . . . . 0.0 109.26 -179.964 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 92' ' ' THR . . . . . 0.575 ' OG1' ' CE2' ' A' ' 20' ' ' PHE . 9.6 m -100.81 101.58 12.46 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.481 1.113 . . . . 0.0 110.437 179.954 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 93' ' ' ILE . . . . . 0.731 HG23 HG23 ' A' ' 65' ' ' ILE . 14.2 mt -89.66 135.07 27.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.5 1.125 . . . . 0.0 109.265 -179.925 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 94' ' ' SER . . . . . 0.656 ' O ' HG22 ' A' ' 66' ' ' VAL . 0.3 OUTLIER -114.35 100.96 8.71 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.522 1.139 . . . . 0.0 109.975 -179.979 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 95' ' ' ILE . . . . . 0.535 HD11 ' HE3' ' A' ' 17' ' ' LYS . 1.2 pt -100.4 167.3 2.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.482 1.114 . . . . 0.0 109.285 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 96' ' ' VAL . . . . . 0.931 ' HB ' ' HB2' ' A' ' 99' ' ' ALA . 83.4 t -109.48 33.51 0.8 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.542 1.151 . . . . 0.0 109.272 -179.98 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 97' ' ' ALA . . . . . 0.423 ' H ' HD12 ' A' ' 95' ' ' ILE . . . 44.33 94.02 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.467 1.104 . . . . 0.0 109.286 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 98' ' ' ALA . . . . . 0.686 ' HB1' ' HG3' ' A' ' 101' ' ' ARG . . . 48.59 57.94 5.77 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.509 1.131 . . . . 0.0 109.318 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 99' ' ' ALA . . . . . 0.931 ' HB2' ' HB ' ' A' ' 96' ' ' VAL . . . -62.32 -63.86 1.11 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.434 1.084 . . . . 0.0 109.296 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . -106.96 59.15 0.39 Allowed Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.505 1.128 . . . . 0.0 110.971 -179.978 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 101' ' ' ARG . . . . . 0.686 ' HG3' ' HB1' ' A' ' 98' ' ' ALA . 0.1 OUTLIER -71.98 -21.93 61.51 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.523 0.778 . . . . 0.0 110.34 180.0 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -75.57 -17.86 59.93 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.512 1.132 . . . . 0.0 110.281 179.978 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 103' ' ' LEU . . . . . 0.54 HD11 ' HD3' ' A' ' 40' ' ' LYS . 26.2 mt -66.82 -14.61 62.86 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.522 1.139 . . . . 0.0 109.276 -179.971 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 104' ' ' PHE . . . . . . . . . . . . . 82.0 m-85 . . . . . 0 C--N 1.326 -0.44 0 O-C-N 124.488 1.118 . . . . 0.0 111.002 -179.959 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 19.7 mt-10 . . . . . 0 N--CA 1.453 -0.29 0 N-CA-C 110.311 -0.255 . . . . 0.0 110.311 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 17' ' ' LYS . . . . . 0.895 ' CE ' HD11 ' A' ' 95' ' ' ILE . 0.0 OUTLIER -112.21 148.4 34.15 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.478 1.111 . . . . 0.0 109.284 -179.981 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -98.19 121.07 39.67 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.505 1.128 . . . . 0.0 109.288 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 19' ' ' VAL . . . . . 0.441 ' O ' ' N ' ' A' ' 93' ' ' ILE . 0.6 OUTLIER -126.13 127.06 70.57 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.562 1.164 . . . . 0.0 109.26 -179.985 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 20' ' ' PHE . . . . . 0.598 ' CE2' ' OG1' ' A' ' 92' ' ' THR . 0.1 OUTLIER -106.53 115.68 30.62 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.555 1.16 . . . . 0.0 111.006 179.971 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 21' ' ' ILE . . . . . 0.507 ' CG1' HD12 ' A' ' 93' ' ' ILE . 17.9 mm -95.36 107.87 20.16 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.522 1.139 . . . . 0.0 109.316 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 22' ' ' SER . . . . . 0.488 ' O ' HD11 ' A' ' 53' ' ' LEU . 3.5 m -101.6 118.66 37.4 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.49 1.119 . . . . 0.0 109.968 -179.95 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 2.1 mp . . . . . 0 C--N 1.325 -0.482 0 O-C-N 124.484 1.115 . . . . 0.0 109.314 179.995 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.007 0 N-CA-C 110.971 -0.851 . . . . 0.0 110.971 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 31' ' ' CYS . . . . . 0.488 ' HB3' HG22 ' A' ' 48' ' ' VAL . 23.9 p -109.38 146.48 34.36 Favored 'General case' 0 C--N 1.324 -0.514 0 N-CA-C 108.308 -0.997 . . . . 0.0 108.308 -179.977 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -100.97 138.42 38.03 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.548 1.155 . . . . 0.0 109.999 180.0 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 33' ' ' ILE . . . . . 0.535 HD11 HG23 ' A' ' 82' ' ' VAL . 8.6 pt -110.45 145.43 16.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.512 1.132 . . . . 0.0 109.339 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 60.4 p -123.36 157.73 32.66 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.467 1.105 . . . . 0.0 109.986 -179.982 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 32.9 p -97.28 128.42 44.11 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.504 1.127 . . . . 0.0 110.013 179.964 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -78.59 167.46 53.02 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.507 1.129 . . . . 0.0 110.995 179.973 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 -170.0 0.71 Allowed 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.537 1.809 . . . . 0.0 111.016 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 38' ' ' ILE . . . . . 0.417 HG22 ' H ' ' A' ' 38' ' ' ILE . 0.8 OUTLIER -74.4 -30.49 26.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.526 1.141 . . . . 0.0 109.33 179.98 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 3.0 pt20 -78.15 -29.09 48.51 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.499 1.125 . . . . 0.0 110.288 -179.979 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 40' ' ' LYS . . . . . 0.604 ' HD3' HD11 ' A' ' 103' ' ' LEU . 26.9 tttp -137.1 62.01 36.87 Favored Pre-proline 0 C--N 1.324 -0.511 0 O-C-N 124.529 1.143 . . . . 0.0 109.32 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 41' ' ' PRO . . . . . 0.469 ' HD3' ' N ' ' A' ' 40' ' ' LYS . 18.3 Cg_endo -74.91 145.71 32.15 Favored 'Trans proline' 0 C--N 1.361 1.188 0 O-C-N 124.467 1.772 . . . . 0.0 111.013 179.975 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 153.08 -155.79 26.34 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.496 1.122 . . . . 0.0 111.011 179.943 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 43' ' ' ILE . . . . . 0.522 HG22 HD12 ' A' ' 65' ' ' ILE . 10.9 mm -129.14 118.69 47.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.559 0.8 . . . . 0.0 109.31 180.0 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 44' ' ' PHE . . . . . 0.567 ' CD2' ' HB2' ' A' ' 64' ' ' GLN . 1.8 m-85 -124.5 146.11 49.16 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.523 1.139 . . . . 0.0 111.011 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 13.4 mt -74.64 137.57 22.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.52 1.137 . . . . 0.0 109.278 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 1.2 p -105.22 -36.91 7.08 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.507 1.129 . . . . 0.0 110.014 179.968 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 58.6 t-80 -153.94 153.17 31.54 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.52 1.138 . . . . 0.0 109.559 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 48' ' ' VAL . . . . . 0.488 HG22 ' HB3' ' A' ' 31' ' ' CYS . 22.3 t . . . . . 0 C--N 1.326 -0.454 0 O-C-N 124.514 1.134 . . . . 0.0 109.274 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 52' ' ' SER . . . . . 0.414 ' N ' ' HB3' ' A' ' 55' ' ' ALA . 87.1 p . . . . . 0 N--CA 1.452 -0.334 0 N-CA-C 110.029 -0.36 . . . . 0.0 110.029 . . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 53' ' ' LEU . . . . . 0.667 HD13 ' CD ' ' A' ' 56' ' ' GLU . 0.0 OUTLIER -77.96 -23.85 48.32 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.55 1.156 . . . . 0.0 109.299 179.987 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 54' ' ' SER . . . . . 0.42 ' O ' HG22 ' A' ' 57' ' ' VAL . 0.0 OUTLIER -94.23 -26.59 16.58 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.492 1.12 . . . . 0.0 110.013 179.979 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 55' ' ' ALA . . . . . 0.414 ' HB3' ' N ' ' A' ' 52' ' ' SER . . . -75.01 -27.55 60.15 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.504 1.127 . . . . 0.0 109.277 -179.984 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 56' ' ' GLU . . . . . 0.667 ' CD ' HD13 ' A' ' 53' ' ' LEU . 6.4 pt-20 -70.62 -36.77 73.65 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.468 1.105 . . . . 0.0 110.348 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 57' ' ' VAL . . . . . 0.495 HG13 ' HG3' ' A' ' 56' ' ' GLU . 18.1 m -82.01 -23.59 9.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.528 1.142 . . . . 0.0 109.264 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 99.61 20.28 17.64 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.536 1.148 . . . . 0.0 111.018 -179.96 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 59' ' ' LEU . . . . . 0.41 ' HG ' ' CG2' ' A' ' 57' ' ' VAL . 13.7 mt -69.62 137.81 52.57 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.492 0.76 . . . . 0.0 109.274 179.991 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 24.7 mt-10 -133.66 173.13 11.85 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.474 1.109 . . . . 0.0 110.315 179.966 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 62.0 mt -59.6 133.96 24.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.54 1.15 . . . . 0.0 109.268 -179.967 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 62' ' ' GLY . . . . . 0.423 ' HA3' ' CG ' ' A' ' 101' ' ' ARG . . . 114.18 -34.08 5.12 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.512 1.133 . . . . 0.0 111.036 180.0 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 63' ' ' ASP . . . . . 0.429 ' CG ' HD13 ' A' ' 95' ' ' ILE . 75.5 m-20 -56.44 97.39 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.518 0.776 . . . . 0.0 109.29 179.945 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 64' ' ' GLN . . . . . 0.582 ' HB3' ' HB3' ' A' ' 99' ' ' ALA . 42.6 tt0 -83.32 134.0 34.94 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.529 1.143 . . . . 0.0 110.325 179.97 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 65' ' ' ILE . . . . . 0.778 HG23 HG23 ' A' ' 93' ' ' ILE . 11.7 mt -87.73 110.27 20.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.552 1.157 . . . . 0.0 109.255 -179.955 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 66' ' ' VAL . . . . . 0.746 HG22 ' O ' ' A' ' 94' ' ' SER . 17.9 m -99.72 -22.2 4.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.452 1.095 . . . . 0.0 109.291 179.974 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 67' ' ' GLU . . . . . 0.433 ' HG2' ' N ' ' A' ' 68' ' ' VAL . 30.8 tt0 -154.02 152.54 30.64 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.459 1.099 . . . . 0.0 110.293 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 68' ' ' VAL . . . . . 0.655 ' O ' HG23 ' A' ' 71' ' ' VAL . 94.3 t -151.44 117.54 0.67 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.535 1.147 . . . . 0.0 109.298 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 69' ' ' ASN . . . . . 0.9 ' ND2' HD23 ' A' ' 91' ' ' LEU . 1.2 t-20 56.41 20.86 5.04 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.544 1.153 . . . . 0.0 109.294 179.985 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 92.85 11.55 58.87 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.482 1.113 . . . . 0.0 111.047 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 71' ' ' VAL . . . . . 0.655 HG23 ' O ' ' A' ' 68' ' ' VAL . 54.6 t -87.37 154.34 3.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.491 0.759 . . . . 0.0 109.335 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -89.9 91.1 8.46 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.517 1.136 . . . . 0.0 109.269 -179.983 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 73' ' ' PHE . . . . . 0.793 ' CG ' HD12 ' A' ' 76' ' ' LEU . 4.6 m-85 -94.84 12.29 28.6 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.509 1.13 . . . . 0.0 111.012 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -73.65 -25.46 60.29 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.535 1.147 . . . . 0.0 110.007 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 55.7 m-80 -142.22 50.9 1.49 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.526 1.141 . . . . 0.0 109.32 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 76' ' ' LEU . . . . . 0.793 HD12 ' CG ' ' A' ' 73' ' ' PHE . 6.2 mt -94.49 -166.65 1.52 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.503 1.127 . . . . 0.0 109.309 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 21.0 t70 -132.06 170.48 14.89 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.476 1.11 . . . . 0.0 109.32 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 78' ' ' HIS . . . . . . . . . . . . . 65.2 t-80 -71.99 -6.83 44.95 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.525 1.141 . . . . 0.0 109.623 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 8.1 mmtt -108.12 -36.03 6.42 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.5 1.125 . . . . 0.0 109.287 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 80' ' ' GLU . . . . . 0.701 ' CB ' HD22 ' A' ' 76' ' ' LEU . 2.8 mm-40 -79.67 -38.75 32.9 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.528 1.142 . . . . 0.0 110.296 179.968 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 81' ' ' ALA . . . . . 0.436 ' HA ' HD13 ' A' ' 76' ' ' LEU . . . -70.31 -25.12 63.17 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.477 1.111 . . . . 0.0 109.332 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 82' ' ' VAL . . . . . 0.585 HG12 ' HD2' ' A' ' 86' ' ' LYS . 24.6 t -86.55 -40.09 13.9 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.466 1.104 . . . . 0.0 109.303 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 83' ' ' ASN . . . . . 0.448 ' HA ' ' CD ' ' A' ' 86' ' ' LYS . 12.1 t30 -64.91 -43.72 91.93 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.482 1.113 . . . . 0.0 109.256 -179.98 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 84' ' ' VAL . . . . . 0.596 HG11 ' HE1' ' A' ' 73' ' ' PHE . 77.0 t -70.86 -27.78 31.49 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.544 1.152 . . . . 0.0 109.334 179.958 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 16.9 mt -80.97 -37.13 29.85 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.415 1.072 . . . . 0.0 109.302 179.978 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 86' ' ' LYS . . . . . 0.585 ' HD2' HG12 ' A' ' 82' ' ' VAL . 0.0 OUTLIER -89.46 -1.36 58.02 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.514 1.134 . . . . 0.0 109.281 -179.993 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -59.39 -65.77 0.62 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.543 1.152 . . . . 0.0 110.0 -179.978 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 88' ' ' SER . . . . . 0.688 ' O ' HD11 ' A' ' 91' ' ' LEU . 0.3 OUTLIER -119.48 172.16 7.84 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.528 1.142 . . . . 0.0 110.005 179.969 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 16.9 mmt180 -81.62 -60.47 2.24 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.567 1.167 . . . . 0.0 110.306 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -82.86 115.21 21.64 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.469 1.106 . . . . 0.0 110.024 179.969 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 91' ' ' LEU . . . . . 0.9 HD23 ' ND2' ' A' ' 69' ' ' ASN . 1.2 mt -138.73 145.16 39.93 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.517 1.135 . . . . 0.0 109.316 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 92' ' ' THR . . . . . 0.598 ' OG1' ' CE2' ' A' ' 20' ' ' PHE . 31.9 m -101.5 100.98 11.49 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.512 1.133 . . . . 0.0 110.389 -179.972 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 93' ' ' ILE . . . . . 0.778 HG23 HG23 ' A' ' 65' ' ' ILE . 13.5 mt -89.51 135.01 27.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.462 1.101 . . . . 0.0 109.36 179.977 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 94' ' ' SER . . . . . 0.746 ' O ' HG22 ' A' ' 66' ' ' VAL . 0.4 OUTLIER -113.82 99.05 7.4 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.475 1.109 . . . . 0.0 110.019 -179.972 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 95' ' ' ILE . . . . . 0.895 HD11 ' CE ' ' A' ' 17' ' ' LYS . 1.3 pt -100.4 169.77 1.62 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.509 1.13 . . . . 0.0 109.283 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 96' ' ' VAL . . . . . 0.876 ' HB ' ' HB2' ' A' ' 99' ' ' ALA . 78.3 t -109.7 32.74 0.91 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.521 1.138 . . . . 0.0 109.303 179.98 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . 45.21 93.79 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.482 1.114 . . . . 0.0 109.311 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 98' ' ' ALA . . . . . 0.711 ' HB1' ' HG3' ' A' ' 101' ' ' ARG . . . 49.55 56.79 7.31 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.52 1.138 . . . . 0.0 109.286 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 99' ' ' ALA . . . . . 0.876 ' HB2' ' HB ' ' A' ' 96' ' ' VAL . . . -60.34 -69.85 0.2 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.519 1.137 . . . . 0.0 109.33 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . -101.52 57.91 0.66 Allowed Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.502 1.126 . . . . 0.0 110.987 179.972 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 101' ' ' ARG . . . . . 0.711 ' HG3' ' HB1' ' A' ' 98' ' ' ALA . 0.0 OUTLIER -70.0 -25.48 63.62 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.484 0.755 . . . . 0.0 110.269 -179.995 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -70.33 -21.53 62.9 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.488 1.118 . . . . 0.0 110.329 179.965 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 103' ' ' LEU . . . . . 0.604 HD11 ' HD3' ' A' ' 40' ' ' LYS . 60.5 mt -61.22 -21.36 63.79 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.48 1.112 . . . . 0.0 109.338 -179.983 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 104' ' ' PHE . . . . . . . . . . . . . 78.4 m-85 . . . . . 0 C--N 1.325 -0.478 0 O-C-N 124.461 1.1 . . . . 0.0 110.987 -179.989 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 16' ' ' GLU . . . . . 0.497 ' HG3' HG22 ' A' ' 96' ' ' VAL . 17.6 mt-10 . . . . . 0 N--CA 1.453 -0.309 0 N-CA-C 110.298 -0.26 . . . . 0.0 110.298 . . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -115.01 143.7 44.77 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.432 1.082 . . . . 0.0 109.276 -179.99 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -90.21 123.39 33.98 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.499 1.125 . . . . 0.0 109.254 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 2.4 m -126.56 127.74 70.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.545 1.153 . . . . 0.0 109.3 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 20' ' ' PHE . . . . . 0.455 ' CD1' ' O ' ' A' ' 91' ' ' LEU . 0.1 OUTLIER -105.58 117.79 34.92 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.507 1.129 . . . . 0.0 111.011 -179.969 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 21' ' ' ILE . . . . . 0.761 HG23 ' HG ' ' A' ' 53' ' ' LEU . 11.8 mm -107.86 108.09 24.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.5 1.125 . . . . 0.0 109.275 -179.966 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 26.2 t -104.45 118.69 37.23 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.509 1.13 . . . . 0.0 110.008 179.966 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 3.3 mm? . . . . . 0 C--N 1.325 -0.48 0 O-C-N 124.528 1.142 . . . . 0.0 109.319 179.983 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.939 0 N-CA-C 111.022 -0.831 . . . . 0.0 111.022 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 29.7 p -102.93 148.12 26.07 Favored 'General case' 0 C--N 1.325 -0.468 0 N-CA-C 108.289 -1.004 . . . . 0.0 108.289 -179.964 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -104.34 139.21 39.64 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.483 1.115 . . . . 0.0 110.02 -179.961 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 33' ' ' ILE . . . . . 0.719 HD11 ' CG2' ' A' ' 82' ' ' VAL . 13.9 pt -107.43 147.12 12.83 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.504 1.127 . . . . 0.0 109.288 -179.983 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 51.8 m -139.19 145.55 39.44 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.483 1.114 . . . . 0.0 109.998 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 72.4 m -88.95 137.89 31.91 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.537 1.148 . . . . 0.0 109.981 -179.961 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -77.97 178.35 52.45 Favored Glycine 0 CA--C 1.529 0.953 0 O-C-N 124.494 1.121 . . . . 0.0 111.048 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 -170.85 0.84 Allowed 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.463 1.77 . . . . 0.0 111.031 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 5.1 tt -73.9 -29.87 26.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.521 1.138 . . . . 0.0 109.272 -179.979 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 16.5 pt20 -77.83 -30.94 51.31 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.468 1.105 . . . . 0.0 110.26 -179.951 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 40' ' ' LYS . . . . . 0.496 ' HG2' HD11 ' A' ' 103' ' ' LEU . 0.5 OUTLIER -136.64 62.01 39.76 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.557 1.161 . . . . 0.0 109.255 -179.964 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 41' ' ' PRO . . . . . 0.461 ' HD3' ' N ' ' A' ' 40' ' ' LYS . 18.4 Cg_endo -74.98 146.47 32.79 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.509 1.794 . . . . 0.0 111.025 179.954 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 156.09 -165.9 32.89 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.516 1.135 . . . . 0.0 110.992 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 43' ' ' ILE . . . . . 0.528 HG22 HD12 ' A' ' 65' ' ' ILE . 23.5 mm -117.29 111.5 35.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.511 0.771 . . . . 0.0 109.327 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 44' ' ' PHE . . . . . 0.578 ' CD2' ' HB2' ' A' ' 64' ' ' GLN . 1.5 m-85 -124.15 140.05 53.34 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.511 1.132 . . . . 0.0 111.016 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 45' ' ' ILE . . . . . 0.447 HG21 ' CG2' ' A' ' 48' ' ' VAL . 12.3 mt -67.32 138.11 23.44 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.529 1.143 . . . . 0.0 109.316 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -100.58 -37.42 8.79 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.483 1.114 . . . . 0.0 109.96 -179.956 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 65.3 t-80 -150.91 164.11 37.09 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.501 1.126 . . . . 0.0 109.571 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 48' ' ' VAL . . . . . 0.447 ' CG2' HG21 ' A' ' 45' ' ' ILE . 84.0 t . . . . . 0 C--N 1.324 -0.503 0 O-C-N 124.486 1.116 . . . . 0.0 109.306 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 18.1 p . . . . . 0 N--CA 1.453 -0.281 0 N-CA-C 109.99 -0.374 . . . . 0.0 109.99 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 53' ' ' LEU . . . . . 0.761 ' HG ' HG23 ' A' ' 21' ' ' ILE . 12.2 tp -87.26 -24.31 24.41 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.564 1.165 . . . . 0.0 109.308 179.959 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 54' ' ' SER . . . . . 0.604 ' O ' HG22 ' A' ' 57' ' ' VAL . 0.0 OUTLIER -95.15 -29.77 14.38 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.492 1.12 . . . . 0.0 109.98 -179.989 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -71.78 -17.35 62.18 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.508 1.13 . . . . 0.0 109.278 -179.977 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 56' ' ' GLU . . . . . 0.499 ' CG ' ' O ' ' A' ' 53' ' ' LEU . 1.9 pt-20 -80.06 -34.21 38.33 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.524 1.14 . . . . 0.0 110.322 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 57' ' ' VAL . . . . . 0.604 HG22 ' O ' ' A' ' 54' ' ' SER . 18.9 m -81.31 -22.11 10.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.497 1.123 . . . . 0.0 109.332 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 104.62 20.65 9.88 Favored Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.479 1.112 . . . . 0.0 111.066 -179.937 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 59' ' ' LEU . . . . . 0.511 HD23 ' OD2' ' A' ' 63' ' ' ASP . 20.7 mt -71.71 144.58 49.26 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.453 0.737 . . . . 0.0 109.315 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 36.1 mt-10 -140.22 173.16 11.79 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.523 1.139 . . . . 0.0 110.298 179.982 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 15.8 mt -64.01 125.84 21.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.499 1.125 . . . . 0.0 109.301 -179.946 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 62' ' ' GLY . . . . . 0.44 ' O ' ' N ' ' A' ' 64' ' ' GLN . . . 120.03 -38.58 2.72 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.489 1.118 . . . . 0.0 110.988 179.974 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 63' ' ' ASP . . . . . 0.511 ' OD2' HD23 ' A' ' 59' ' ' LEU . 73.2 m-20 -43.99 96.94 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.47 0.747 . . . . 0.0 109.331 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 64' ' ' GLN . . . . . 0.653 ' HB3' ' HB3' ' A' ' 99' ' ' ALA . 49.0 tt0 -83.25 120.36 25.72 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.489 1.118 . . . . 0.0 110.289 -179.968 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 65' ' ' ILE . . . . . 0.813 HG23 HG23 ' A' ' 93' ' ' ILE . 38.9 mt -74.51 107.95 5.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.544 1.152 . . . . 0.0 109.301 179.974 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 66' ' ' VAL . . . . . 0.754 HG22 ' O ' ' A' ' 94' ' ' SER . 15.7 m -96.46 -24.64 4.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.493 1.121 . . . . 0.0 109.296 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 67' ' ' GLU . . . . . 0.419 ' HA ' ' O ' ' A' ' 71' ' ' VAL . 30.4 tt0 -151.47 154.96 37.59 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.538 1.149 . . . . 0.0 110.243 -179.986 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 68' ' ' VAL . . . . . 0.695 ' O ' HG23 ' A' ' 71' ' ' VAL . 95.7 t -152.28 124.29 1.08 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.478 1.111 . . . . 0.0 109.308 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 69' ' ' ASN . . . . . 0.863 ' ND2' HD23 ' A' ' 91' ' ' LEU . 1.1 t-20 45.78 34.8 1.95 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.521 1.138 . . . . 0.0 109.332 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 75.23 34.61 50.98 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.529 1.143 . . . . 0.0 110.986 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 71' ' ' VAL . . . . . 0.695 HG23 ' O ' ' A' ' 68' ' ' VAL . 58.9 t -111.0 147.45 15.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.52 0.777 . . . . 0.0 109.292 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 1.7 t0 -81.88 86.99 6.41 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.539 1.149 . . . . 0.0 109.307 179.976 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 73' ' ' PHE . . . . . 0.821 ' CD1' HD12 ' A' ' 76' ' ' LEU . 3.8 m-85 -92.3 18.88 7.66 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.471 1.107 . . . . 0.0 111.006 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -73.78 -42.02 61.6 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.511 1.132 . . . . 0.0 109.99 -179.971 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -129.53 50.83 2.12 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.535 1.147 . . . . 0.0 109.258 -179.99 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 76' ' ' LEU . . . . . 0.821 HD12 ' CD1' ' A' ' 73' ' ' PHE . 5.9 mt -89.56 -166.3 1.56 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.522 1.139 . . . . 0.0 109.302 179.967 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 33.9 t70 -131.47 169.58 15.87 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.528 1.143 . . . . 0.0 109.278 -179.984 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 78' ' ' HIS . . . . . . . . . . . . . 58.8 t-80 -70.98 -7.02 43.2 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.464 1.102 . . . . 0.0 109.625 179.966 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -108.89 -37.53 5.83 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.498 1.124 . . . . 0.0 109.291 179.97 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 80' ' ' GLU . . . . . 0.712 ' CB ' HD22 ' A' ' 76' ' ' LEU . 2.3 mt-10 -77.1 -37.9 53.34 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.529 1.143 . . . . 0.0 110.291 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 81' ' ' ALA . . . . . 0.497 ' HA ' HD13 ' A' ' 76' ' ' LEU . . . -69.9 -27.7 65.01 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.496 1.123 . . . . 0.0 109.278 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 82' ' ' VAL . . . . . 0.856 HG12 ' CE ' ' A' ' 86' ' ' LYS . 45.4 t -88.1 -36.83 9.83 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.494 1.121 . . . . 0.0 109.301 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 41.2 t30 -64.71 -40.47 95.41 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.532 1.145 . . . . 0.0 109.334 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 84' ' ' VAL . . . . . 0.534 HG11 ' HE1' ' A' ' 73' ' ' PHE . 77.9 t -74.47 -32.83 31.33 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.497 1.123 . . . . 0.0 109.312 179.968 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 85' ' ' LEU . . . . . 0.524 ' CD2' HG11 ' A' ' 68' ' ' VAL . 18.7 mt -75.29 -38.03 60.56 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.44 1.087 . . . . 0.0 109.282 -179.977 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 86' ' ' LYS . . . . . 0.856 ' CE ' HG12 ' A' ' 82' ' ' VAL . 1.8 ptpt -86.06 -2.61 58.48 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.479 1.112 . . . . 0.0 109.301 -179.977 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 38.4 t -53.75 -68.48 0.17 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.478 1.111 . . . . 0.0 110.007 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -117.04 -173.51 2.41 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.537 1.148 . . . . 0.0 110.031 179.986 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 13.1 mmt85 -90.84 -53.38 4.42 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.491 1.119 . . . . 0.0 110.299 -179.965 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -88.84 113.56 24.51 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.471 1.107 . . . . 0.0 109.994 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 91' ' ' LEU . . . . . 0.863 HD23 ' ND2' ' A' ' 69' ' ' ASN . 1.0 OUTLIER -134.02 147.54 50.97 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.527 1.142 . . . . 0.0 109.307 179.996 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 15.9 m -106.96 101.03 10.49 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.499 1.125 . . . . 0.0 110.358 -179.971 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 93' ' ' ILE . . . . . 0.813 HG23 HG23 ' A' ' 65' ' ' ILE . 14.0 mt -89.51 135.13 26.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.459 1.1 . . . . 0.0 109.333 179.963 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 94' ' ' SER . . . . . 0.754 ' O ' HG22 ' A' ' 66' ' ' VAL . 0.3 OUTLIER -112.95 101.23 9.29 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.525 1.141 . . . . 0.0 110.035 179.988 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 95' ' ' ILE . . . . . 0.531 HD12 ' H ' ' A' ' 97' ' ' ALA . 1.1 pt -100.5 169.32 1.7 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.527 0 O-C-N 124.491 1.12 . . . . 0.0 109.293 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 96' ' ' VAL . . . . . 0.854 ' HB ' ' HB2' ' A' ' 99' ' ' ALA . 70.5 t -114.05 34.88 0.96 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.505 1.128 . . . . 0.0 109.319 179.974 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 97' ' ' ALA . . . . . 0.531 ' H ' HD12 ' A' ' 95' ' ' ILE . . . 46.76 94.84 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.552 1.157 . . . . 0.0 109.274 -179.98 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . 43.39 59.67 2.9 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.485 1.115 . . . . 0.0 109.279 179.944 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 99' ' ' ALA . . . . . 0.854 ' HB2' ' HB ' ' A' ' 96' ' ' VAL . . . -61.41 -65.47 0.69 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.523 1.139 . . . . 0.0 109.32 179.961 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . -108.93 59.82 0.34 Allowed Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.517 1.136 . . . . 0.0 111.021 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -74.76 -17.36 60.65 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.45 0.735 . . . . 0.0 110.303 179.986 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 9.4 pt-20 -68.62 -34.46 75.8 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.477 1.111 . . . . 0.0 110.313 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 103' ' ' LEU . . . . . 0.496 HD11 ' HG2' ' A' ' 40' ' ' LYS . 81.3 mt -45.63 -38.27 6.48 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.488 1.118 . . . . 0.0 109.281 -179.988 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 104' ' ' PHE . . . . . . . . . . . . . 16.7 m-85 . . . . . 0 C--N 1.324 -0.522 0 O-C-N 124.525 1.141 . . . . 0.0 110.96 -179.968 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 22.3 mt-10 . . . . . 0 N--CA 1.453 -0.297 0 N-CA-C 110.338 -0.245 . . . . 0.0 110.338 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 17' ' ' LYS . . . . . 0.598 ' HE3' HD11 ' A' ' 95' ' ' ILE . 0.4 OUTLIER -113.58 140.89 47.8 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.523 1.139 . . . . 0.0 109.31 -179.978 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 18' ' ' LYS . . . . . 0.464 ' HD3' ' CG2' ' A' ' 92' ' ' THR . 6.0 ttmm -91.49 123.15 34.69 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.486 1.116 . . . . 0.0 109.276 -179.97 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 19' ' ' VAL . . . . . 0.46 HG23 ' HB ' ' A' ' 93' ' ' ILE . 0.3 OUTLIER -121.64 117.02 51.22 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.45 1.094 . . . . 0.0 109.317 179.962 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -94.26 115.27 27.5 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.523 1.14 . . . . 0.0 111.024 -179.973 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 21' ' ' ILE . . . . . 0.518 HG23 ' HG ' ' A' ' 53' ' ' LEU . 18.2 mm -109.03 110.5 32.33 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 O-C-N 124.491 1.12 . . . . 0.0 109.343 179.984 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 10.7 p -111.92 121.1 44.11 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.448 1.093 . . . . 0.0 109.965 -179.963 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.402 ' N ' HD22 ' A' ' 23' ' ' LEU . 2.6 mm? . . . . . 0 C--N 1.325 -0.497 0 O-C-N 124.549 1.156 . . . . 0.0 109.302 179.979 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.933 0 N-CA-C 111.015 -0.834 . . . . 0.0 111.015 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 11.2 p -121.48 140.45 52.17 Favored 'General case' 0 C--N 1.325 -0.458 0 N-CA-C 108.341 -0.985 . . . . 0.0 108.341 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -94.97 141.87 28.14 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.533 1.146 . . . . 0.0 109.979 -179.972 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 33' ' ' ILE . . . . . 0.536 HD11 HG23 ' A' ' 82' ' ' VAL . 8.2 pt -117.4 145.57 23.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.512 1.133 . . . . 0.0 109.308 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -130.88 169.57 15.59 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.51 1.131 . . . . 0.0 110.002 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 11.4 p -106.56 125.94 51.63 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.502 1.126 . . . . 0.0 110.001 179.982 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -70.79 172.13 43.68 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.492 1.12 . . . . 0.0 111.002 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.06 -172.43 1.26 Allowed 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.488 1.783 . . . . 0.0 111.008 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 0.7 OUTLIER -72.45 -30.02 33.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.456 1.098 . . . . 0.0 109.33 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 13.3 pt20 -77.83 -30.61 51.16 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.549 1.156 . . . . 0.0 110.337 179.95 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 40' ' ' LYS . . . . . 0.468 ' N ' ' HD3' ' A' ' 41' ' ' PRO . 5.3 tttt -136.62 61.82 38.91 Favored Pre-proline 0 C--N 1.324 -0.516 0 O-C-N 124.481 1.113 . . . . 0.0 109.291 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 41' ' ' PRO . . . . . 0.468 ' HD3' ' N ' ' A' ' 40' ' ' LYS . 18.0 Cg_endo -75.04 145.83 31.77 Favored 'Trans proline' 0 C--N 1.361 1.198 0 O-C-N 124.452 1.764 . . . . 0.0 110.949 -179.959 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 154.78 -158.32 28.21 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.511 1.132 . . . . 0.0 111.005 -179.987 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 43' ' ' ILE . . . . . 0.424 HG22 HD12 ' A' ' 65' ' ' ILE . 12.2 mm -123.44 108.47 21.1 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 O-C-N 124.46 0.741 . . . . 0.0 109.276 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 44' ' ' PHE . . . . . 0.577 ' CD2' HD12 ' A' ' 103' ' ' LEU . 3.2 m-85 -118.36 139.33 51.53 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.534 1.146 . . . . 0.0 111.003 179.977 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 45' ' ' ILE . . . . . 0.52 ' O ' ' CZ ' ' A' ' 104' ' ' PHE . 19.9 mt -67.51 141.49 17.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.467 1.104 . . . . 0.0 109.3 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 46' ' ' SER . . . . . 0.471 ' HA ' ' CE2' ' A' ' 104' ' ' PHE . 0.7 OUTLIER -105.49 -37.19 6.89 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.544 1.153 . . . . 0.0 109.999 179.998 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 47' ' ' HIS . . . . . 0.417 ' ND1' ' N ' ' A' ' 48' ' ' VAL . 56.4 t-80 -152.87 165.38 35.62 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.478 1.111 . . . . 0.0 109.583 179.96 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 48' ' ' VAL . . . . . 0.417 ' N ' ' ND1' ' A' ' 47' ' ' HIS . 80.8 t . . . . . 0 C--N 1.325 -0.477 0 O-C-N 124.49 1.118 . . . . 0.0 109.324 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 76.8 p . . . . . 0 N--CA 1.453 -0.29 0 N-CA-C 109.977 -0.379 . . . . 0.0 109.977 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 53' ' ' LEU . . . . . 0.518 ' HG ' HG23 ' A' ' 21' ' ' ILE . 48.9 tp -89.66 -17.52 28.22 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.471 1.107 . . . . 0.0 109.307 -179.978 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 54' ' ' SER . . . . . 0.908 ' O ' HG22 ' A' ' 57' ' ' VAL . 0.0 OUTLIER -95.02 -38.77 10.49 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.465 1.103 . . . . 0.0 109.991 179.989 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -62.75 -30.31 71.34 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.531 1.144 . . . . 0.0 109.325 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 56' ' ' GLU . . . . . 0.513 ' HG3' HG13 ' A' ' 57' ' ' VAL . 2.4 pt-20 -65.62 -33.27 75.5 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.546 1.154 . . . . 0.0 110.347 179.976 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 57' ' ' VAL . . . . . 0.908 HG22 ' O ' ' A' ' 54' ' ' SER . 8.0 m -84.38 -21.03 8.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.517 1.136 . . . . 0.0 109.28 179.971 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 105.37 20.55 9.53 Favored Glycine 0 CA--C 1.529 0.964 0 O-C-N 124.554 1.159 . . . . 0.0 111.014 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 59' ' ' LEU . . . . . 0.743 HD23 ' OD2' ' A' ' 63' ' ' ASP . 11.2 mt -71.89 139.17 48.67 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.503 0.766 . . . . 0.0 109.297 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 51.1 mt-10 -145.23 172.99 12.33 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.494 1.121 . . . . 0.0 110.298 -179.974 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 30.2 mt -61.75 129.59 24.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.472 1.108 . . . . 0.0 109.282 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 113.54 -29.04 8.14 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.478 1.111 . . . . 0.0 110.977 179.957 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 63' ' ' ASP . . . . . 0.743 ' OD2' HD23 ' A' ' 59' ' ' LEU . 9.0 m-20 -60.25 97.36 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.486 0.756 . . . . 0.0 109.274 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 64' ' ' GLN . . . . . 0.566 ' HB2' ' CD2' ' A' ' 44' ' ' PHE . 46.5 tt0 -83.19 131.3 35.12 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.446 1.091 . . . . 0.0 110.304 179.967 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 65' ' ' ILE . . . . . 0.58 ' CG2' ' CG2' ' A' ' 68' ' ' VAL . 59.8 mt -80.76 109.43 15.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.503 1.127 . . . . 0.0 109.315 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 66' ' ' VAL . . . . . 0.918 HG22 ' O ' ' A' ' 94' ' ' SER . 12.7 m -98.15 -23.71 4.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.52 1.138 . . . . 0.0 109.294 -179.963 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 67' ' ' GLU . . . . . 0.42 ' HA ' ' O ' ' A' ' 71' ' ' VAL . 32.3 tt0 -153.52 153.45 32.45 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.465 1.103 . . . . 0.0 110.262 -179.963 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 68' ' ' VAL . . . . . 0.58 ' CG2' ' CG2' ' A' ' 65' ' ' ILE . 67.3 t -151.88 117.48 0.63 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.519 1.137 . . . . 0.0 109.314 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 69' ' ' ASN . . . . . 0.547 ' OD1' HD23 ' A' ' 91' ' ' LEU . 0.1 OUTLIER 57.15 18.29 4.04 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.525 1.141 . . . . 0.0 109.335 -179.955 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 95.81 5.12 60.05 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.497 1.123 . . . . 0.0 110.962 179.977 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 71' ' ' VAL . . . . . 0.423 HG23 ' O ' ' A' ' 68' ' ' VAL . 59.0 t -83.46 143.25 12.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.469 0.746 . . . . 0.0 109.348 179.952 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 2.2 t70 -80.43 87.9 5.63 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.512 1.133 . . . . 0.0 109.341 179.986 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 73' ' ' PHE . . . . . 0.728 ' CG ' HD12 ' A' ' 76' ' ' LEU . 2.9 m-85 -86.14 41.21 0.91 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.525 1.14 . . . . 0.0 111.021 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 3.3 t -82.84 -72.15 0.46 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.502 1.126 . . . . 0.0 109.957 -179.981 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 3.3 m-80 -103.95 47.11 0.89 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.469 1.106 . . . . 0.0 109.292 -179.976 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 76' ' ' LEU . . . . . 0.728 HD12 ' CG ' ' A' ' 73' ' ' PHE . 6.7 mt -80.44 -167.21 1.26 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.463 1.102 . . . . 0.0 109.299 179.968 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 31.9 t70 -134.68 170.87 15.17 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.494 1.121 . . . . 0.0 109.34 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 78' ' ' HIS . . . . . . . . . . . . . 60.2 t-80 -72.31 -5.54 36.88 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.507 1.129 . . . . 0.0 109.621 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 5.5 mttt -109.41 -36.39 6.01 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.489 1.118 . . . . 0.0 109.298 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 80' ' ' GLU . . . . . 0.701 ' CB ' HD22 ' A' ' 76' ' ' LEU . 1.8 mm-40 -77.54 -36.83 51.92 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.482 1.114 . . . . 0.0 110.271 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -73.07 -29.71 63.15 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.474 1.109 . . . . 0.0 109.277 -179.986 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 82' ' ' VAL . . . . . 0.697 HG12 ' HE3' ' A' ' 86' ' ' LYS . 3.0 t -81.38 -46.75 20.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.446 1.091 . . . . 0.0 109.324 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 18.3 t30 -57.85 -41.18 81.83 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.494 1.121 . . . . 0.0 109.303 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 84' ' ' VAL . . . . . 0.6 HG23 ' O ' ' A' ' 80' ' ' GLU . 69.9 t -72.99 -31.0 33.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.49 1.119 . . . . 0.0 109.267 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 85' ' ' LEU . . . . . 0.402 ' CD2' HG11 ' A' ' 68' ' ' VAL . 21.6 mt -77.17 -31.18 55.3 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.525 1.14 . . . . 0.0 109.266 -179.975 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 86' ' ' LYS . . . . . 0.697 ' HE3' HG12 ' A' ' 82' ' ' VAL . 8.3 ptpt -95.51 -2.59 48.28 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.487 1.117 . . . . 0.0 109.331 -179.976 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -53.56 -62.52 1.6 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.449 1.093 . . . . 0.0 109.984 -179.982 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 88' ' ' SER . . . . . 0.486 ' O ' HD11 ' A' ' 91' ' ' LEU . 2.3 t -122.8 -178.67 4.0 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.536 1.147 . . . . 0.0 110.021 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 9.5 mmt180 -85.47 -56.33 3.57 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.547 1.155 . . . . 0.0 110.322 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -85.94 119.01 25.78 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.48 1.113 . . . . 0.0 109.984 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 91' ' ' LEU . . . . . 0.547 HD23 ' OD1' ' A' ' 69' ' ' ASN . 1.0 OUTLIER -136.63 148.95 47.72 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.533 1.145 . . . . 0.0 109.325 179.997 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 92' ' ' THR . . . . . 0.464 ' CG2' ' HD3' ' A' ' 18' ' ' LYS . 9.7 m -109.87 100.46 9.43 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.492 1.12 . . . . 0.0 110.394 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 93' ' ' ILE . . . . . 0.477 HD12 ' CG1' ' A' ' 21' ' ' ILE . 12.0 mt -89.19 137.9 20.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.467 1.104 . . . . 0.0 109.276 -179.981 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 94' ' ' SER . . . . . 0.918 ' O ' HG22 ' A' ' 66' ' ' VAL . 0.3 OUTLIER -119.75 101.06 7.63 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.497 1.123 . . . . 0.0 109.991 -179.998 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 95' ' ' ILE . . . . . 0.598 HD11 ' HE3' ' A' ' 17' ' ' LYS . 1.1 pt -100.27 169.82 1.6 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.5 1.125 . . . . 0.0 109.296 -179.979 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 96' ' ' VAL . . . . . 0.813 ' HB ' ' HB2' ' A' ' 99' ' ' ALA . 73.4 t -109.11 31.81 0.99 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.481 1.113 . . . . 0.0 109.36 179.974 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 97' ' ' ALA . . . . . 0.53 ' H ' HD12 ' A' ' 95' ' ' ILE . . . 44.97 94.26 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.493 1.121 . . . . 0.0 109.308 -179.978 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 98' ' ' ALA . . . . . 0.698 ' HB1' ' HG3' ' A' ' 101' ' ' ARG . . . 50.94 56.53 7.86 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.506 1.129 . . . . 0.0 109.324 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 99' ' ' ALA . . . . . 0.813 ' HB2' ' HB ' ' A' ' 96' ' ' VAL . . . -59.99 -75.46 0.06 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.467 1.104 . . . . 0.0 109.34 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . -96.39 55.93 1.46 Allowed Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.509 1.131 . . . . 0.0 111.023 179.944 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 101' ' ' ARG . . . . . 0.698 ' HG3' ' HB1' ' A' ' 98' ' ' ALA . 0.0 OUTLIER -65.7 -19.97 66.11 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.509 0.77 . . . . 0.0 110.31 179.997 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 1.8 pt-20 -75.9 -6.44 50.88 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.496 1.123 . . . . 0.0 110.307 179.959 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 103' ' ' LEU . . . . . 0.577 HD12 ' CD2' ' A' ' 44' ' ' PHE . 76.8 mt -82.44 -11.86 58.24 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.433 1.083 . . . . 0.0 109.304 -179.972 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 104' ' ' PHE . . . . . 0.52 ' CZ ' ' O ' ' A' ' 45' ' ' ILE . 21.1 m-85 . . . . . 0 C--N 1.325 -0.462 0 O-C-N 124.53 1.144 . . . . 0.0 110.972 179.988 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 16' ' ' GLU . . . . . 0.475 ' HG3' HG22 ' A' ' 96' ' ' VAL . 20.1 mt-10 . . . . . 0 N--CA 1.454 -0.266 0 N-CA-C 110.264 -0.273 . . . . 0.0 110.264 . . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -111.21 144.12 40.88 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.482 1.113 . . . . 0.0 109.291 179.968 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 18' ' ' LYS . . . . . 0.636 ' HD3' HG23 ' A' ' 92' ' ' THR . 1.7 ttmm -97.85 119.52 36.6 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.498 1.124 . . . . 0.0 109.299 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 19' ' ' VAL . . . . . 0.482 HG23 ' HB ' ' A' ' 93' ' ' ILE . 2.0 m -120.0 120.44 63.12 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.479 1.112 . . . . 0.0 109.319 179.966 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 20' ' ' PHE . . . . . 0.426 ' CD1' ' O ' ' A' ' 91' ' ' LEU . 0.1 OUTLIER -97.83 114.53 26.6 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.53 1.143 . . . . 0.0 110.978 -179.995 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 21' ' ' ILE . . . . . 0.568 HG13 HD12 ' A' ' 93' ' ' ILE . 5.2 mm -102.95 125.74 57.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.534 1.146 . . . . 0.0 109.301 179.968 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 71.6 m -118.01 128.78 55.11 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.44 1.088 . . . . 0.0 110.027 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 4.5 mm? . . . . . 0 C--N 1.325 -0.471 0 O-C-N 124.489 1.118 . . . . 0.0 109.273 -179.974 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.001 0 N-CA-C 110.996 -0.842 . . . . 0.0 110.996 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 31' ' ' CYS . . . . . 0.5 ' HB3' HG22 ' A' ' 48' ' ' VAL . 25.8 p -108.3 155.71 20.19 Favored 'General case' 0 C--N 1.325 -0.475 0 N-CA-C 108.293 -1.003 . . . . 0.0 108.293 -179.977 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -114.1 142.32 46.35 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.504 1.128 . . . . 0.0 109.96 -179.954 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 33' ' ' ILE . . . . . 0.467 HD11 HG23 ' A' ' 82' ' ' VAL . 10.2 pt -110.27 145.24 17.0 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.51 1.131 . . . . 0.0 109.329 179.956 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 34' ' ' SER . . . . . 0.4 ' HG ' ' HZ ' ' A' ' 104' ' ' PHE . 24.1 p -125.72 163.38 22.95 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.53 1.144 . . . . 0.0 110.03 179.978 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 61.8 p -94.74 142.99 26.82 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.478 1.111 . . . . 0.0 110.018 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -96.98 163.56 22.32 Favored Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.525 1.14 . . . . 0.0 110.995 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.97 -164.31 0.23 Allowed 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.429 1.752 . . . . 0.0 110.954 -179.983 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 38' ' ' ILE . . . . . 0.418 HG22 ' H ' ' A' ' 38' ' ' ILE . 0.8 OUTLIER -79.11 -31.1 14.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.526 1.141 . . . . 0.0 109.313 179.983 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 1.7 pt20 -79.75 -25.95 40.87 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.506 1.129 . . . . 0.0 110.319 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 40' ' ' LYS . . . . . 0.857 ' HG2' HD11 ' A' ' 103' ' ' LEU . 0.0 OUTLIER -136.3 61.47 39.02 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.468 1.105 . . . . 0.0 109.297 -179.978 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 41' ' ' PRO . . . . . 0.47 ' HD3' ' N ' ' A' ' 40' ' ' LYS . 18.2 Cg_endo -75.03 147.06 33.3 Favored 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.44 1.758 . . . . 0.0 110.956 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 140.56 -162.07 26.58 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.492 1.12 . . . . 0.0 111.023 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 43' ' ' ILE . . . . . 0.417 ' O ' ' HA ' ' A' ' 64' ' ' GLN . 14.2 mm -117.76 130.68 72.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.525 0.779 . . . . 0.0 109.29 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 44' ' ' PHE . . . . . 0.579 ' CD2' ' HB2' ' A' ' 64' ' ' GLN . 1.3 m-85 -136.36 141.12 43.69 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.479 1.112 . . . . 0.0 111.003 -179.986 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 18.3 mt -68.84 146.29 12.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.474 1.109 . . . . 0.0 109.289 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 1.2 p -111.7 -36.88 5.34 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.52 1.138 . . . . 0.0 109.999 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 63.6 t-80 -151.86 159.3 43.9 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.485 1.116 . . . . 0.0 109.58 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 48' ' ' VAL . . . . . 0.5 HG22 ' HB3' ' A' ' 31' ' ' CYS . 26.4 t . . . . . 0 C--N 1.326 -0.441 0 O-C-N 124.497 1.123 . . . . 0.0 109.285 -179.976 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 94.6 p . . . . . 0 N--CA 1.453 -0.306 0 N-CA-C 110.014 -0.365 . . . . 0.0 110.014 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 53' ' ' LEU . . . . . 0.93 HD13 ' CD ' ' A' ' 56' ' ' GLU . 0.1 OUTLIER -58.21 -18.75 28.33 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.468 1.105 . . . . 0.0 109.285 -179.957 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 54' ' ' SER . . . . . 0.577 ' O ' HG22 ' A' ' 57' ' ' VAL . 0.3 OUTLIER -93.25 -34.37 13.59 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.496 1.122 . . . . 0.0 109.975 -179.991 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -71.97 -41.55 67.57 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.496 1.122 . . . . 0.0 109.286 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 56' ' ' GLU . . . . . 0.93 ' CD ' HD13 ' A' ' 53' ' ' LEU . 8.2 pt-20 -54.41 -38.07 65.8 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.573 1.17 . . . . 0.0 110.286 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 57' ' ' VAL . . . . . 0.577 HG22 ' O ' ' A' ' 54' ' ' SER . 32.6 m -80.7 -26.38 11.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.464 1.102 . . . . 0.0 109.297 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 98.17 39.99 3.62 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.526 1.141 . . . . 0.0 111.023 -179.977 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 59' ' ' LEU . . . . . 0.532 ' HG ' HG23 ' A' ' 57' ' ' VAL . 20.8 mt -82.43 145.77 29.67 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.5 0.764 . . . . 0.0 109.32 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 35.9 mt-10 -136.16 162.27 33.41 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.544 1.152 . . . . 0.0 110.288 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 60.2 mt -57.09 129.59 19.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.536 1.147 . . . . 0.0 109.308 180.0 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 117.54 -34.31 4.58 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.477 1.11 . . . . 0.0 111.002 -179.994 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 63' ' ' ASP . . . . . 0.442 ' CG ' HD13 ' A' ' 95' ' ' ILE . 82.2 m-20 -48.93 98.02 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.546 0.792 . . . . 0.0 109.294 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 64' ' ' GLN . . . . . 0.636 ' HB3' ' HB3' ' A' ' 99' ' ' ALA . 53.8 tt0 -83.0 128.13 34.19 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.509 1.131 . . . . 0.0 110.331 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 65' ' ' ILE . . . . . 0.582 ' CG2' ' CD2' ' A' ' 73' ' ' PHE . 68.0 mt -80.49 108.98 14.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.469 1.106 . . . . 0.0 109.343 179.971 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 66' ' ' VAL . . . . . 0.852 HG22 ' O ' ' A' ' 94' ' ' SER . 14.1 m -97.56 -24.38 4.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.488 1.117 . . . . 0.0 109.25 -179.967 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 67' ' ' GLU . . . . . 0.423 ' C ' HG23 ' A' ' 68' ' ' VAL . 35.9 tt0 -151.86 154.16 35.61 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.494 1.121 . . . . 0.0 110.298 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 68' ' ' VAL . . . . . 0.576 ' CG2' ' CG2' ' A' ' 65' ' ' ILE . 99.5 t -152.32 114.42 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.499 1.125 . . . . 0.0 109.311 -179.975 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 69' ' ' ASN . . . . . 0.808 HD22 HD23 ' A' ' 91' ' ' LEU . 1.2 t-20 57.08 20.68 5.71 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.531 1.145 . . . . 0.0 109.303 -180.0 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 97.16 -0.09 60.12 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.469 1.106 . . . . 0.0 111.005 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 71' ' ' VAL . . . . . 0.697 HG21 ' CG1' ' A' ' 84' ' ' VAL . 61.2 t -75.71 146.03 9.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.458 0.74 . . . . 0.0 109.303 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 4.2 t0 -85.51 87.87 7.45 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.54 1.15 . . . . 0.0 109.358 179.975 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 73' ' ' PHE . . . . . 0.749 ' CG ' HD12 ' A' ' 76' ' ' LEU . 3.3 m-85 -86.79 41.88 0.98 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.461 1.101 . . . . 0.0 110.984 -179.954 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 10.3 t -79.46 -67.32 0.77 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.444 1.09 . . . . 0.0 109.983 -179.961 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 6.5 p30 -113.8 49.48 0.98 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.454 1.096 . . . . 0.0 109.268 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 76' ' ' LEU . . . . . 0.749 HD12 ' CG ' ' A' ' 73' ' ' PHE . 7.1 mt -78.64 -167.7 1.17 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.475 1.109 . . . . 0.0 109.305 179.964 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 21.2 t70 -136.59 171.68 14.13 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.473 1.108 . . . . 0.0 109.314 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 78' ' ' HIS . . . . . . . . . . . . . 62.4 t-80 -71.9 -6.3 40.84 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.447 1.092 . . . . 0.0 109.646 179.972 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 5.3 mmtt -107.8 -36.28 6.44 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.502 1.126 . . . . 0.0 109.257 -179.97 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 80' ' ' GLU . . . . . 0.702 ' CB ' HD22 ' A' ' 76' ' ' LEU . 2.1 mm-40 -79.32 -37.41 37.7 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.545 1.153 . . . . 0.0 110.288 -179.965 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -72.81 -26.48 61.52 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.508 1.13 . . . . 0.0 109.281 -179.98 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 82' ' ' VAL . . . . . 0.699 HG12 ' CE ' ' A' ' 86' ' ' LYS . 4.4 t -83.2 -44.33 18.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.536 1.147 . . . . 0.0 109.288 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 13.0 t30 -59.83 -44.88 93.82 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.453 1.096 . . . . 0.0 109.291 -179.952 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 84' ' ' VAL . . . . . 0.697 ' CG1' HG21 ' A' ' 71' ' ' VAL . 88.5 t -69.19 -28.12 37.62 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.478 1.111 . . . . 0.0 109.298 -179.988 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 17.6 mt -78.39 -39.67 38.38 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.522 1.139 . . . . 0.0 109.299 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 86' ' ' LYS . . . . . 0.699 ' CE ' HG12 ' A' ' 82' ' ' VAL . 4.7 ptpt -86.55 -1.92 58.04 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.56 1.163 . . . . 0.0 109.301 -179.986 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 2.2 t -52.99 -67.88 0.22 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.471 1.107 . . . . 0.0 109.99 179.968 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 88' ' ' SER . . . . . 0.418 ' O ' HD11 ' A' ' 91' ' ' LEU . 0.3 OUTLIER -119.66 -176.98 3.28 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.469 1.106 . . . . 0.0 110.015 179.983 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 5.2 mmt-85 -86.42 -55.19 4.01 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.483 1.114 . . . . 0.0 110.26 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 2.0 m -89.26 119.72 29.99 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.448 1.092 . . . . 0.0 110.004 -179.977 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 91' ' ' LEU . . . . . 0.808 HD23 HD22 ' A' ' 69' ' ' ASN . 1.0 OUTLIER -137.34 148.22 46.13 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.485 1.116 . . . . 0.0 109.246 -179.995 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 92' ' ' THR . . . . . 0.636 HG23 ' HD3' ' A' ' 18' ' ' LYS . 2.8 m -106.58 101.32 10.78 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.488 1.117 . . . . 0.0 110.37 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 93' ' ' ILE . . . . . 0.568 HD12 HG13 ' A' ' 21' ' ' ILE . 17.7 mt -89.3 137.22 21.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.495 1.122 . . . . 0.0 109.314 179.975 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 94' ' ' SER . . . . . 0.852 ' O ' HG22 ' A' ' 66' ' ' VAL . 0.3 OUTLIER -118.97 100.05 7.12 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.536 1.147 . . . . 0.0 109.98 -179.993 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 95' ' ' ILE . . . . . 0.442 HD13 ' CG ' ' A' ' 63' ' ' ASP . 1.2 pt -100.33 168.8 1.77 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.524 1.14 . . . . 0.0 109.31 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 96' ' ' VAL . . . . . 0.862 ' HB ' ' HB2' ' A' ' 99' ' ' ALA . 75.9 t -111.44 34.29 0.85 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.56 1.162 . . . . 0.0 109.298 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 97' ' ' ALA . . . . . 0.413 ' H ' HD12 ' A' ' 95' ' ' ILE . . . 47.09 95.27 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.475 1.109 . . . . 0.0 109.279 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 98' ' ' ALA . . . . . 0.729 ' HB1' ' HG3' ' A' ' 101' ' ' ARG . . . 44.29 59.61 3.18 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.472 1.108 . . . . 0.0 109.33 179.979 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 99' ' ' ALA . . . . . 0.862 ' HB2' ' HB ' ' A' ' 96' ' ' VAL . . . -63.79 -76.38 0.07 Allowed 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.534 1.146 . . . . 0.0 109.285 -179.986 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . -89.66 49.14 3.37 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.478 1.111 . . . . 0.0 111.017 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 101' ' ' ARG . . . . . 0.729 ' HG3' ' HB1' ' A' ' 98' ' ' ALA . 0.0 OUTLIER -63.55 -35.92 82.07 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.552 0.795 . . . . 0.0 110.333 179.993 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 9.6 pt-20 -50.93 -31.14 16.75 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.502 1.126 . . . . 0.0 110.32 -179.987 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 103' ' ' LEU . . . . . 0.857 HD11 ' HG2' ' A' ' 40' ' ' LYS . 70.4 mt -54.23 -34.44 60.69 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.441 1.088 . . . . 0.0 109.287 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 104' ' ' PHE . . . . . 0.4 ' HZ ' ' HG ' ' A' ' 34' ' ' SER . 31.9 m-85 . . . . . 0 C--N 1.325 -0.48 0 O-C-N 124.536 1.147 . . . . 0.0 111.002 179.968 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 23.7 mt-10 . . . . . 0 N--CA 1.453 -0.313 0 N-CA-C 110.304 -0.258 . . . . 0.0 110.304 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 17' ' ' LYS . . . . . 0.56 ' HE3' HD11 ' A' ' 95' ' ' ILE . 0.7 OUTLIER -113.39 157.3 22.07 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.546 1.153 . . . . 0.0 109.321 179.974 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -109.21 123.55 49.43 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.409 1.068 . . . . 0.0 109.278 -179.98 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 19' ' ' VAL . . . . . 0.418 HG23 ' HB ' ' A' ' 93' ' ' ILE . 0.6 OUTLIER -123.46 117.0 50.0 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.551 1.157 . . . . 0.0 109.271 -179.993 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 20' ' ' PHE . . . . . 0.597 ' CE2' ' OG1' ' A' ' 92' ' ' THR . 0.2 OUTLIER -93.6 113.51 25.63 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.526 1.141 . . . . 0.0 111.041 179.937 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 21' ' ' ILE . . . . . 0.438 ' CG1' HD12 ' A' ' 93' ' ' ILE . 24.1 mm -96.53 119.44 44.59 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.505 1.128 . . . . 0.0 109.312 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 4.4 p -113.0 123.91 51.41 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.497 1.123 . . . . 0.0 110.027 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.42 HD13 ' HA ' ' A' ' 23' ' ' LEU . 4.4 mm? . . . . . 0 C--N 1.325 -0.467 0 O-C-N 124.491 1.119 . . . . 0.0 109.302 -179.968 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.029 0 N-CA-C 110.966 -0.854 . . . . 0.0 110.966 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 31' ' ' CYS . . . . . 0.42 ' HA ' ' O ' ' A' ' 47' ' ' HIS . 17.0 p -127.67 142.1 51.43 Favored 'General case' 0 C--N 1.324 -0.508 0 N-CA-C 108.292 -1.003 . . . . 0.0 108.292 179.969 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -101.86 137.68 39.84 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.508 1.13 . . . . 0.0 109.954 -179.973 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 33' ' ' ILE . . . . . 0.563 HD11 ' CG2' ' A' ' 82' ' ' VAL . 5.5 pt -108.37 148.08 12.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.471 1.107 . . . . 0.0 109.348 179.967 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 24.1 m -138.64 142.87 39.06 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.509 1.13 . . . . 0.0 110.001 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 1.7 t -81.89 149.74 28.11 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.543 1.152 . . . . 0.0 110.031 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -92.7 174.72 36.46 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.536 1.148 . . . . 0.0 111.024 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.96 -172.31 1.22 Allowed 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.507 1.793 . . . . 0.0 110.982 -179.983 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 0.8 OUTLIER -72.46 -30.19 33.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.489 1.118 . . . . 0.0 109.336 179.945 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 12.3 pt20 -77.12 -31.02 55.48 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.483 1.114 . . . . 0.0 110.321 179.963 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 40' ' ' LYS . . . . . 0.68 ' HG2' HD11 ' A' ' 103' ' ' LEU . 0.6 OUTLIER -137.45 62.11 35.03 Favored Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.514 1.134 . . . . 0.0 109.272 179.99 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 41' ' ' PRO . . . . . 0.459 ' HD3' ' N ' ' A' ' 40' ' ' LYS . 18.3 Cg_endo -75.04 146.39 32.47 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.509 1.794 . . . . 0.0 110.974 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 151.54 -166.21 30.67 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.522 1.139 . . . . 0.0 110.981 179.992 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 43' ' ' ILE . . . . . 0.534 HG22 HD12 ' A' ' 65' ' ' ILE . 14.5 mm -114.21 118.74 59.35 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.529 0.782 . . . . 0.0 109.242 -179.949 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 44' ' ' PHE . . . . . 0.567 ' N ' ' CD1' ' A' ' 44' ' ' PHE . 1.5 m-85 -129.35 143.15 50.73 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.475 1.109 . . . . 0.0 110.967 179.98 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 45' ' ' ILE . . . . . 0.594 ' O ' ' CE2' ' A' ' 104' ' ' PHE . 5.4 mt -65.5 150.1 10.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.518 1.136 . . . . 0.0 109.328 179.934 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 1.1 p -119.27 -40.43 2.81 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.521 1.138 . . . . 0.0 110.017 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 47' ' ' HIS . . . . . 0.42 ' O ' ' HA ' ' A' ' 31' ' ' CYS . 44.4 t-80 -156.45 150.39 25.04 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.495 1.122 . . . . 0.0 109.606 179.98 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 48' ' ' VAL . . . . . 0.439 HG21 ' HB2' ' A' ' 54' ' ' SER . 0.6 OUTLIER . . . . . 0 C--N 1.326 -0.451 0 O-C-N 124.454 1.096 . . . . 0.0 109.294 -179.978 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 52' ' ' SER . . . . . 0.44 ' OG ' ' N ' ' A' ' 53' ' ' LEU . 3.3 p . . . . . 0 N--CA 1.453 -0.286 0 N-CA-C 110.012 -0.366 . . . . 0.0 110.012 . . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 53' ' ' LEU . . . . . 0.473 ' HA ' HD13 ' A' ' 53' ' ' LEU . 0.0 OUTLIER -84.78 -19.71 32.17 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.479 1.112 . . . . 0.0 109.31 -179.973 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 54' ' ' SER . . . . . 0.551 ' O ' HG22 ' A' ' 57' ' ' VAL . 0.7 OUTLIER -94.44 -39.85 10.22 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.475 1.109 . . . . 0.0 109.982 179.977 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -60.62 -32.62 71.76 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.49 1.119 . . . . 0.0 109.289 -179.979 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 56' ' ' GLU . . . . . 0.448 ' CG ' ' O ' ' A' ' 53' ' ' LEU . 0.9 OUTLIER -61.72 -32.78 73.03 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.492 1.12 . . . . 0.0 110.253 -179.955 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 57' ' ' VAL . . . . . 0.58 HG23 ' HG ' ' A' ' 59' ' ' LEU . 33.0 m -95.28 -3.05 10.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.52 1.137 . . . . 0.0 109.259 -179.953 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 79.85 27.3 53.99 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.457 1.098 . . . . 0.0 110.975 179.978 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 59' ' ' LEU . . . . . 0.58 ' HG ' HG23 ' A' ' 57' ' ' VAL . 9.9 mt -68.39 138.73 55.59 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.453 0.737 . . . . 0.0 109.306 179.976 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 39.8 mt-10 -135.65 170.86 15.31 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.537 1.148 . . . . 0.0 110.314 179.97 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 61' ' ' ILE . . . . . 0.408 ' HA ' HG22 ' A' ' 45' ' ' ILE . 42.5 mt -62.12 137.17 24.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.491 1.119 . . . . 0.0 109.296 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 62' ' ' GLY . . . . . 0.428 ' O ' ' N ' ' A' ' 64' ' ' GLN . . . 111.04 -41.65 2.18 Favored Glycine 0 CA--C 1.531 1.048 0 O-C-N 124.484 1.115 . . . . 0.0 110.973 179.986 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 81.4 m-20 -45.24 97.56 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.542 0.789 . . . . 0.0 109.315 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 64' ' ' GLN . . . . . 0.568 ' HB3' ' HB3' ' A' ' 99' ' ' ALA . 28.1 tt0 -82.87 134.82 35.08 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.491 1.12 . . . . 0.0 110.307 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 65' ' ' ILE . . . . . 0.709 HG23 HG23 ' A' ' 93' ' ' ILE . 16.4 mt -88.38 111.42 22.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.509 1.131 . . . . 0.0 109.255 -179.977 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 66' ' ' VAL . . . . . 0.604 HG22 ' O ' ' A' ' 94' ' ' SER . 17.3 m -101.04 -21.64 5.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.516 1.135 . . . . 0.0 109.359 179.953 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 67' ' ' GLU . . . . . 0.428 ' HA ' ' O ' ' A' ' 71' ' ' VAL . 33.8 tt0 -151.92 152.46 32.57 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.537 1.148 . . . . 0.0 110.27 179.986 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 68' ' ' VAL . . . . . 0.684 ' O ' HG23 ' A' ' 71' ' ' VAL . 97.7 t -152.25 119.58 0.7 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.514 1.134 . . . . 0.0 109.335 179.988 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 69' ' ' ASN . . . . . 0.898 ' ND2' HD23 ' A' ' 91' ' ' LEU . 1.1 t-20 51.23 28.57 4.24 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.484 1.115 . . . . 0.0 109.321 -179.956 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 84.84 22.4 53.12 Favored Glycine 0 CA--C 1.529 0.959 0 O-C-N 124.497 1.123 . . . . 0.0 111.036 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 71' ' ' VAL . . . . . 0.684 HG23 ' O ' ' A' ' 68' ' ' VAL . 98.6 t -97.39 158.91 3.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.442 0.73 . . . . 0.0 109.331 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 1.8 t0 -94.47 85.18 4.48 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.545 1.153 . . . . 0.0 109.319 179.966 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 73' ' ' PHE . . . . . 0.794 ' CD1' HD12 ' A' ' 76' ' ' LEU . 3.8 m-85 -89.62 26.31 1.78 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.483 1.114 . . . . 0.0 111.026 179.979 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -79.35 -47.75 15.26 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.463 1.102 . . . . 0.0 110.014 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 5.0 p-10 -124.32 48.55 1.91 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.469 1.106 . . . . 0.0 109.312 179.964 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 76' ' ' LEU . . . . . 0.794 HD12 ' CD1' ' A' ' 73' ' ' PHE . 7.1 mt -87.41 -167.71 1.98 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.513 1.133 . . . . 0.0 109.31 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 38.2 t70 -133.4 172.16 13.08 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.491 1.119 . . . . 0.0 109.324 179.969 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 78' ' ' HIS . . . . . . . . . . . . . 60.2 t-80 -72.35 -5.82 39.01 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.485 1.115 . . . . 0.0 109.576 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 9.7 mmtt -109.01 -37.24 5.87 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.474 1.108 . . . . 0.0 109.32 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 80' ' ' GLU . . . . . 0.699 ' CB ' HD22 ' A' ' 76' ' ' LEU . 3.7 mt-10 -78.62 -35.79 45.07 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.527 1.142 . . . . 0.0 110.333 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -73.69 -31.64 63.54 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.495 1.122 . . . . 0.0 109.31 179.937 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 82' ' ' VAL . . . . . 0.828 HG12 ' CE ' ' A' ' 86' ' ' LYS . 44.2 t -82.06 -39.02 16.15 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.54 1.15 . . . . 0.0 109.302 -179.959 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 41.3 t30 -63.92 -40.22 95.97 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.504 1.127 . . . . 0.0 109.326 179.962 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 84' ' ' VAL . . . . . 0.68 HG23 ' O ' ' A' ' 80' ' ' GLU . 83.2 t -73.23 -33.48 41.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.502 1.126 . . . . 0.0 109.267 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 25.9 mt -75.69 -35.28 60.37 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.468 1.105 . . . . 0.0 109.311 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 86' ' ' LYS . . . . . 0.828 ' CE ' HG12 ' A' ' 82' ' ' VAL . 0.2 OUTLIER -88.45 -3.66 58.78 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.508 1.13 . . . . 0.0 109.267 -179.953 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 4.9 t -57.54 -59.79 4.65 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.477 1.111 . . . . 0.0 109.98 -179.936 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 88' ' ' SER . . . . . 0.717 ' O ' HD11 ' A' ' 91' ' ' LEU . 0.4 OUTLIER -128.25 174.39 9.32 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.471 1.107 . . . . 0.0 110.004 179.992 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 24.7 mmt180 -81.51 -58.94 2.8 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.503 1.127 . . . . 0.0 110.312 179.952 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -83.13 117.78 23.12 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.519 1.137 . . . . 0.0 110.039 179.958 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 91' ' ' LEU . . . . . 0.898 HD23 ' ND2' ' A' ' 69' ' ' ASN . 1.1 mt -140.85 143.9 35.01 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.521 1.138 . . . . 0.0 109.307 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 92' ' ' THR . . . . . 0.597 ' OG1' ' CE2' ' A' ' 20' ' ' PHE . 44.0 m -100.12 100.27 11.1 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.471 1.107 . . . . 0.0 110.385 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 93' ' ' ILE . . . . . 0.709 HG23 HG23 ' A' ' 65' ' ' ILE . 16.8 mt -89.91 135.16 26.96 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.551 1.157 . . . . 0.0 109.303 179.978 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 94' ' ' SER . . . . . 0.604 ' O ' HG22 ' A' ' 66' ' ' VAL . 0.4 OUTLIER -115.79 103.24 10.46 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.488 1.118 . . . . 0.0 109.976 -179.971 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 95' ' ' ILE . . . . . 0.56 HD11 ' HE3' ' A' ' 17' ' ' LYS . 1.5 pt -100.3 168.47 1.84 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.462 1.101 . . . . 0.0 109.325 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 96' ' ' VAL . . . . . 0.928 ' HB ' ' HB2' ' A' ' 99' ' ' ALA . 76.0 t -108.32 31.27 0.99 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.473 1.108 . . . . 0.0 109.296 179.985 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 97' ' ' ALA . . . . . 0.434 ' O ' ' O ' ' A' ' 96' ' ' VAL . . . 45.16 95.54 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.479 1.112 . . . . 0.0 109.313 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . 47.74 58.64 4.8 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.531 1.144 . . . . 0.0 109.302 179.992 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 99' ' ' ALA . . . . . 0.928 ' HB2' ' HB ' ' A' ' 96' ' ' VAL . . . -65.21 -68.63 0.35 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.478 1.111 . . . . 0.0 109.316 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . -106.08 59.93 0.39 Allowed Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.532 1.145 . . . . 0.0 110.989 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 1.1 ttp180 -70.78 -29.95 66.29 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.505 0.768 . . . . 0.0 110.319 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 10.5 pt-20 -58.52 -40.04 81.78 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.498 1.124 . . . . 0.0 110.326 179.954 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 103' ' ' LEU . . . . . 0.68 HD11 ' HG2' ' A' ' 40' ' ' LYS . 48.3 mt -40.76 -42.62 1.81 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.483 1.115 . . . . 0.0 109.294 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 104' ' ' PHE . . . . . 0.594 ' CE2' ' O ' ' A' ' 45' ' ' ILE . 48.7 m-85 . . . . . 0 C--N 1.324 -0.513 0 O-C-N 124.52 1.138 . . . . 0.0 110.998 -179.973 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 16' ' ' GLU . . . . . 0.419 ' HA ' ' O ' ' A' ' 95' ' ' ILE . 17.9 mt-10 . . . . . 0 N--CA 1.453 -0.287 0 N-CA-C 110.304 -0.258 . . . . 0.0 110.304 . . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 17' ' ' LYS . . . . . 0.452 ' CE ' HD11 ' A' ' 95' ' ' ILE . 0.6 OUTLIER -126.49 141.76 51.77 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.497 1.123 . . . . 0.0 109.279 -179.961 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -92.7 125.86 37.51 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.535 1.147 . . . . 0.0 109.298 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 19' ' ' VAL . . . . . 0.503 HG23 ' HB ' ' A' ' 93' ' ' ILE . 2.6 m -129.36 121.91 54.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.475 1.109 . . . . 0.0 109.286 -179.982 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 20' ' ' PHE . . . . . 0.59 ' CE2' ' OG1' ' A' ' 92' ' ' THR . 0.1 OUTLIER -100.89 115.96 31.64 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.514 1.134 . . . . 0.0 111.018 179.977 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 21' ' ' ILE . . . . . 0.498 ' CG1' HD12 ' A' ' 93' ' ' ILE . 33.1 mm -97.66 118.11 43.57 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 O-C-N 124.533 1.145 . . . . 0.0 109.309 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 18.2 p -112.87 104.31 12.3 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.418 1.074 . . . . 0.0 109.989 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 3.6 mp . . . . . 0 C--N 1.325 -0.5 0 O-C-N 124.506 1.129 . . . . 0.0 109.285 179.979 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.995 0 N-CA-C 110.987 -0.845 . . . . 0.0 110.987 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 31' ' ' CYS . . . . . 0.42 ' HA ' ' O ' ' A' ' 47' ' ' HIS . 24.6 p -111.74 148.15 34.11 Favored 'General case' 0 C--N 1.325 -0.482 0 N-CA-C 108.341 -0.985 . . . . 0.0 108.341 179.952 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -102.78 141.84 34.92 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.522 1.138 . . . . 0.0 109.996 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 33' ' ' ILE . . . . . 0.704 HD11 ' CG2' ' A' ' 82' ' ' VAL . 6.3 pt -117.92 145.92 23.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.522 1.138 . . . . 0.0 109.3 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -134.87 168.9 18.23 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.476 1.11 . . . . 0.0 109.989 -179.981 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 74.1 p -96.5 143.48 27.47 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.51 1.131 . . . . 0.0 110.018 179.977 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -95.32 164.7 24.68 Favored Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.521 1.138 . . . . 0.0 111.003 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.05 -172.04 1.15 Allowed 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.492 1.785 . . . . 0.0 110.962 -179.956 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 0.7 OUTLIER -72.18 -30.33 35.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.511 1.132 . . . . 0.0 109.325 -179.976 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 16.9 pt20 -78.09 -30.19 49.43 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.507 1.13 . . . . 0.0 110.3 179.978 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 40' ' ' LYS . . . . . 0.805 ' HG2' HD11 ' A' ' 103' ' ' LEU . 0.0 OUTLIER -136.01 61.57 41.31 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.5 1.125 . . . . 0.0 109.3 -179.996 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 41' ' ' PRO . . . . . 0.476 ' HD3' ' N ' ' A' ' 40' ' ' LYS . 18.2 Cg_endo -75.0 146.53 32.76 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.505 1.792 . . . . 0.0 110.992 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 142.6 -163.94 27.13 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.509 1.13 . . . . 0.0 110.983 179.954 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 7.5 mm -116.2 118.6 59.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.49 0.759 . . . . 0.0 109.252 -179.965 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 44' ' ' PHE . . . . . 0.573 ' N ' ' CD1' ' A' ' 44' ' ' PHE . 1.2 m-85 -126.63 140.24 52.57 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.521 1.138 . . . . 0.0 111.014 179.974 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 45' ' ' ILE . . . . . 0.527 ' O ' ' CZ ' ' A' ' 104' ' ' PHE . 25.5 mt -66.56 145.06 14.12 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.524 1.14 . . . . 0.0 109.288 -180.0 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 46' ' ' SER . . . . . 0.496 ' HA ' ' CE2' ' A' ' 104' ' ' PHE . 0.8 OUTLIER -108.88 -37.36 5.88 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.509 1.131 . . . . 0.0 109.964 -179.992 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 47' ' ' HIS . . . . . 0.42 ' O ' ' HA ' ' A' ' 31' ' ' CYS . 58.8 t-80 -160.27 154.86 23.91 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.482 1.114 . . . . 0.0 109.61 -179.961 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 1.2 p . . . . . 0 C--N 1.325 -0.488 0 O-C-N 124.46 1.1 . . . . 0.0 109.297 -179.999 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 80.7 p . . . . . 0 N--CA 1.453 -0.321 0 N-CA-C 110.011 -0.366 . . . . 0.0 110.011 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 53' ' ' LEU . . . . . 0.413 ' O ' ' CG ' ' A' ' 56' ' ' GLU . 32.0 tp -83.83 -20.85 32.47 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.5 1.125 . . . . 0.0 109.304 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 54' ' ' SER . . . . . 0.782 ' O ' HG22 ' A' ' 57' ' ' VAL . 3.8 m -94.56 -32.99 13.21 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.48 1.112 . . . . 0.0 109.974 -179.965 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -68.59 -30.67 69.48 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.492 1.12 . . . . 0.0 109.287 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 56' ' ' GLU . . . . . 0.453 ' HG3' HG13 ' A' ' 57' ' ' VAL . 2.8 pt-20 -63.84 -34.29 77.6 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.529 1.143 . . . . 0.0 110.309 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 57' ' ' VAL . . . . . 0.782 HG22 ' O ' ' A' ' 54' ' ' SER . 20.5 m -83.59 -21.3 8.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.482 1.114 . . . . 0.0 109.359 179.976 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 99.61 38.57 3.65 Favored Glycine 0 CA--C 1.531 1.045 0 O-C-N 124.52 1.138 . . . . 0.0 110.99 179.968 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 59' ' ' LEU . . . . . 0.598 HD12 ' HB3' ' A' ' 54' ' ' SER . 16.6 mt -85.91 141.57 29.47 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.573 0.807 . . . . 0.0 109.299 -179.983 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 25.0 mt-10 -135.13 172.25 13.28 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.523 1.14 . . . . 0.0 110.286 179.975 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 26.5 mt -67.5 124.15 22.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.481 1.113 . . . . 0.0 109.28 179.983 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 119.96 -35.16 3.91 Favored Glycine 0 CA--C 1.529 0.951 0 O-C-N 124.47 1.106 . . . . 0.0 110.966 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 63' ' ' ASP . . . . . 0.688 ' HB3' HD13 ' A' ' 95' ' ' ILE . 85.1 m-20 -47.02 98.87 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.514 0.773 . . . . 0.0 109.319 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 64' ' ' GLN . . . . . 0.666 ' HB3' ' HB3' ' A' ' 99' ' ' ALA . 44.4 tt0 -82.92 128.6 34.6 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.489 1.118 . . . . 0.0 110.277 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 65' ' ' ILE . . . . . 0.574 ' CG2' ' CG2' ' A' ' 68' ' ' VAL . 54.1 mt -78.27 113.0 16.93 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.47 1.106 . . . . 0.0 109.302 179.975 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 66' ' ' VAL . . . . . 0.947 HG22 ' O ' ' A' ' 94' ' ' SER . 16.8 m -101.93 -21.24 5.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.506 1.129 . . . . 0.0 109.304 179.976 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 67' ' ' GLU . . . . . 0.434 ' HG2' ' N ' ' A' ' 68' ' ' VAL . 29.0 tt0 -156.02 150.4 25.71 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.545 1.153 . . . . 0.0 110.321 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 68' ' ' VAL . . . . . 0.706 ' O ' HG23 ' A' ' 71' ' ' VAL . 64.4 t -148.74 117.85 1.07 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.472 1.108 . . . . 0.0 109.269 -179.959 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 69' ' ' ASN . . . . . 0.792 HD22 HD23 ' A' ' 91' ' ' LEU . 1.1 t-20 53.92 25.2 5.13 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.476 1.11 . . . . 0.0 109.336 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 88.38 19.18 53.48 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.486 1.116 . . . . 0.0 111.001 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 71' ' ' VAL . . . . . 0.706 HG23 ' O ' ' A' ' 68' ' ' VAL . 65.8 t -93.96 158.41 2.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.493 0.761 . . . . 0.0 109.264 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 7.0 t0 -93.19 89.29 6.38 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.473 1.108 . . . . 0.0 109.294 179.967 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 73' ' ' PHE . . . . . 0.872 ' CD1' HD12 ' A' ' 76' ' ' LEU . 4.8 m-85 -95.39 21.57 7.93 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.456 1.097 . . . . 0.0 110.992 -180.0 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -75.96 -30.46 58.63 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.507 1.129 . . . . 0.0 110.006 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 6.9 m-80 -143.24 46.32 1.53 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.537 1.148 . . . . 0.0 109.36 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 76' ' ' LEU . . . . . 0.872 HD12 ' CD1' ' A' ' 73' ' ' PHE . 5.0 mt -82.84 -165.48 1.07 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.456 1.098 . . . . 0.0 109.293 -179.947 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 19.4 t0 -131.57 169.15 16.52 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.469 1.106 . . . . 0.0 109.322 179.958 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 78' ' ' HIS . . . . . . . . . . . . . 61.4 t-80 -71.71 -6.92 44.74 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.535 1.147 . . . . 0.0 109.663 179.987 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 19.0 mttt -109.39 -34.77 6.44 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.494 1.121 . . . . 0.0 109.285 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 80' ' ' GLU . . . . . 0.709 ' CB ' HD22 ' A' ' 76' ' ' LEU . 1.8 mm-40 -79.66 -37.84 34.99 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.464 1.103 . . . . 0.0 110.306 -179.986 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 81' ' ' ALA . . . . . 0.488 ' HA ' HD13 ' A' ' 76' ' ' LEU . . . -70.88 -27.59 63.93 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.504 1.127 . . . . 0.0 109.337 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 82' ' ' VAL . . . . . 0.782 HG12 ' CE ' ' A' ' 86' ' ' LYS . 24.8 t -85.96 -38.48 12.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.458 1.099 . . . . 0.0 109.334 179.956 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 23.2 t-20 -65.25 -41.79 93.96 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.491 1.119 . . . . 0.0 109.301 179.976 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 84' ' ' VAL . . . . . 0.505 HG11 HG21 ' A' ' 71' ' ' VAL . 69.5 t -73.56 -26.9 22.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.54 1.15 . . . . 0.0 109.31 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 85' ' ' LEU . . . . . 0.427 HD12 ' O ' ' A' ' 81' ' ' ALA . 19.9 mt -80.7 -41.21 24.05 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.491 1.12 . . . . 0.0 109.306 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 86' ' ' LYS . . . . . 0.782 ' CE ' HG12 ' A' ' 82' ' ' VAL . 9.2 ptpt -83.46 -2.96 57.1 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.5 1.125 . . . . 0.0 109.257 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -56.12 -57.25 12.97 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.463 1.102 . . . . 0.0 110.046 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -127.54 -170.36 2.21 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.517 1.136 . . . . 0.0 109.966 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -98.94 -52.71 3.48 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.492 1.12 . . . . 0.0 110.295 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -90.17 110.82 21.83 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.459 1.099 . . . . 0.0 109.998 179.967 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 91' ' ' LEU . . . . . 0.792 HD23 HD22 ' A' ' 69' ' ' ASN . 1.1 mp -133.44 148.15 51.74 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.516 1.135 . . . . 0.0 109.308 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 92' ' ' THR . . . . . 0.59 ' OG1' ' CE2' ' A' ' 20' ' ' PHE . 67.4 m -102.84 100.9 10.93 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.49 1.119 . . . . 0.0 110.399 -179.975 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 93' ' ' ILE . . . . . 0.503 ' HB ' HG23 ' A' ' 19' ' ' VAL . 18.8 mt -89.23 137.47 21.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.474 1.109 . . . . 0.0 109.34 179.982 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 94' ' ' SER . . . . . 0.947 ' O ' HG22 ' A' ' 66' ' ' VAL . 0.3 OUTLIER -122.65 102.72 8.22 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.511 1.132 . . . . 0.0 109.968 -179.941 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 95' ' ' ILE . . . . . 0.688 HD13 ' HB3' ' A' ' 63' ' ' ASP . 1.4 pt -99.96 177.84 0.69 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.459 1.099 . . . . 0.0 109.342 179.96 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 96' ' ' VAL . . . . . 0.929 ' HB ' ' HB2' ' A' ' 99' ' ' ALA . 84.8 t -115.78 35.37 1.02 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.468 1.105 . . . . 0.0 109.32 -179.973 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 97' ' ' ALA . . . . . 0.403 ' O ' ' O ' ' A' ' 96' ' ' VAL . . . 45.13 93.69 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.486 1.116 . . . . 0.0 109.274 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . 45.46 58.98 3.82 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.546 1.154 . . . . 0.0 109.273 180.0 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 99' ' ' ALA . . . . . 0.929 ' HB2' ' HB ' ' A' ' 96' ' ' VAL . . . -61.76 -73.05 0.11 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.489 1.118 . . . . 0.0 109.287 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . -104.1 56.85 0.55 Allowed Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.455 1.097 . . . . 0.0 110.967 -179.977 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 7.0 ptt180 -72.39 -24.6 61.27 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.541 0.789 . . . . 0.0 110.286 179.968 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 10.8 pt-20 -56.02 -24.71 40.92 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.484 1.115 . . . . 0.0 110.269 -179.97 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 103' ' ' LEU . . . . . 0.805 HD11 ' HG2' ' A' ' 40' ' ' LYS . 82.4 mt -56.48 -41.39 76.51 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.466 1.104 . . . . 0.0 109.324 179.976 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 104' ' ' PHE . . . . . 0.527 ' CZ ' ' O ' ' A' ' 45' ' ' ILE . 4.2 m-85 . . . . . 0 C--N 1.325 -0.458 0 O-C-N 124.498 1.124 . . . . 0.0 111.002 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 24.2 mt-10 . . . . . 0 N--CA 1.453 -0.297 0 N-CA-C 110.344 -0.243 . . . . 0.0 110.344 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 17' ' ' LYS . . . . . 0.412 ' CG ' HG13 ' A' ' 95' ' ' ILE . 0.0 OUTLIER -106.14 154.48 20.62 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.532 1.145 . . . . 0.0 109.31 -179.986 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 18' ' ' LYS . . . . . 0.419 ' HD3' HG23 ' A' ' 92' ' ' THR . 0.0 OUTLIER -107.57 114.02 27.72 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.479 1.112 . . . . 0.0 109.274 -179.983 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 1.0 OUTLIER -118.03 131.86 69.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.499 1.124 . . . . 0.0 109.321 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 20' ' ' PHE . . . . . 0.559 ' CE2' ' OG1' ' A' ' 92' ' ' THR . 3.7 t80 -107.32 111.97 24.58 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.498 1.124 . . . . 0.0 110.983 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 21' ' ' ILE . . . . . 0.471 ' CD1' ' O ' ' A' ' 53' ' ' LEU . 25.3 mm -103.19 112.02 35.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.515 1.134 . . . . 0.0 109.315 179.969 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 22' ' ' SER . . . . . 0.836 ' O ' HD11 ' A' ' 53' ' ' LEU . 8.3 t -114.68 122.93 47.98 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.536 1.147 . . . . 0.0 109.996 179.981 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 3.0 mm? . . . . . 0 C--N 1.326 -0.454 0 O-C-N 124.465 1.103 . . . . 0.0 109.314 179.983 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.004 0 N-CA-C 110.99 -0.844 . . . . 0.0 110.99 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 31' ' ' CYS . . . . . 0.442 ' HA ' ' O ' ' A' ' 47' ' ' HIS . 27.4 p -125.74 149.49 48.49 Favored 'General case' 0 C--N 1.325 -0.468 0 N-CA-C 108.308 -0.997 . . . . 0.0 108.308 179.978 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -108.34 140.44 41.61 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.442 1.089 . . . . 0.0 110.051 179.945 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 4.0 pt -105.02 152.34 6.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.51 1.131 . . . . 0.0 109.315 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -127.84 169.69 13.63 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.476 1.11 . . . . 0.0 110.005 -179.977 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 93.4 p -105.1 142.43 34.9 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.487 1.117 . . . . 0.0 109.998 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -96.61 161.49 22.1 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.468 1.105 . . . . 0.0 110.971 -179.977 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 -172.82 1.36 Allowed 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.486 1.782 . . . . 0.0 111.028 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 0.8 OUTLIER -71.56 -30.27 38.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.503 1.127 . . . . 0.0 109.253 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 11.9 pt20 -78.09 -28.71 48.78 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.489 1.118 . . . . 0.0 110.306 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 40' ' ' LYS . . . . . 0.455 ' N ' ' HD3' ' A' ' 41' ' ' PRO . 27.6 tttt -138.85 62.46 27.46 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.475 1.109 . . . . 0.0 109.347 179.954 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 41' ' ' PRO . . . . . 0.455 ' HD3' ' N ' ' A' ' 40' ' ' LYS . 18.2 Cg_endo -75.01 145.14 31.05 Favored 'Trans proline' 0 C--N 1.361 1.186 0 O-C-N 124.539 1.81 . . . . 0.0 110.971 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 150.83 -158.9 27.9 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.497 1.123 . . . . 0.0 110.973 179.974 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 43' ' ' ILE . . . . . 0.42 HG22 HD12 ' A' ' 65' ' ' ILE . 7.9 mm -126.74 121.58 58.74 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.492 0.76 . . . . 0.0 109.264 -179.927 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 44' ' ' PHE . . . . . 0.575 ' CD2' ' HB2' ' A' ' 64' ' ' GLN . 2.3 m-85 -128.48 146.33 50.84 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.489 1.118 . . . . 0.0 110.989 -179.979 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 45' ' ' ILE . . . . . 0.408 ' O ' ' CZ ' ' A' ' 104' ' ' PHE . 14.6 mt -71.06 138.41 21.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.519 1.137 . . . . 0.0 109.319 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -104.77 -36.76 7.3 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.506 1.129 . . . . 0.0 109.994 -179.949 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 47' ' ' HIS . . . . . 0.442 ' O ' ' HA ' ' A' ' 31' ' ' CYS . 43.3 t-80 -154.91 147.47 24.19 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.491 1.12 . . . . 0.0 109.563 -179.989 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 48' ' ' VAL . . . . . 0.4 ' CG2' ' HB2' ' A' ' 54' ' ' SER . 0.8 OUTLIER . . . . . 0 C--N 1.325 -0.5 0 O-C-N 124.527 1.142 . . . . 0.0 109.293 -179.98 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 13.8 p . . . . . 0 N--CA 1.453 -0.301 0 N-CA-C 109.976 -0.379 . . . . 0.0 109.976 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 53' ' ' LEU . . . . . 0.836 HD11 ' O ' ' A' ' 22' ' ' SER . 0.4 OUTLIER -73.26 -9.8 59.09 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.502 1.126 . . . . 0.0 109.322 179.983 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 54' ' ' SER . . . . . 1.021 ' O ' HG22 ' A' ' 57' ' ' VAL . 0.9 OUTLIER -96.35 -55.16 3.03 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.516 1.135 . . . . 0.0 110.004 -179.999 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -51.78 -39.34 58.47 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.508 1.13 . . . . 0.0 109.312 -179.987 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 56' ' ' GLU . . . . . 0.631 ' HG3' HG13 ' A' ' 57' ' ' VAL . 3.0 pt-20 -55.24 -29.58 58.31 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.485 1.116 . . . . 0.0 110.318 179.971 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 57' ' ' VAL . . . . . 1.021 HG22 ' O ' ' A' ' 54' ' ' SER . 3.2 m -91.87 -22.76 5.95 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.512 1.133 . . . . 0.0 109.3 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 101.29 39.43 3.04 Favored Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.53 1.144 . . . . 0.0 111.032 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 59' ' ' LEU . . . . . 0.564 HD12 ' HB3' ' A' ' 54' ' ' SER . 15.6 mt -85.62 140.91 30.2 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.498 0.764 . . . . 0.0 109.32 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 32.4 mt-10 -138.45 164.53 29.13 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.489 1.118 . . . . 0.0 110.353 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 39.7 mt -59.88 126.6 17.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.472 1.107 . . . . 0.0 109.294 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 122.73 -35.64 3.37 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.518 1.136 . . . . 0.0 110.989 179.974 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 63' ' ' ASP . . . . . 0.565 ' HB3' HD13 ' A' ' 95' ' ' ILE . 72.5 m-20 -49.94 98.08 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.468 0.746 . . . . 0.0 109.301 -179.979 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 64' ' ' GLN . . . . . 0.575 ' HB2' ' CD2' ' A' ' 44' ' ' PHE . 58.2 tt0 -83.05 123.07 29.13 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.501 1.126 . . . . 0.0 110.319 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 65' ' ' ILE . . . . . 0.617 ' CG2' ' CG2' ' A' ' 68' ' ' VAL . 2.6 mt -76.99 109.49 11.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.504 1.127 . . . . 0.0 109.275 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 66' ' ' VAL . . . . . 0.628 HG22 ' O ' ' A' ' 94' ' ' SER . 23.3 m -100.75 -24.34 4.13 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.472 1.107 . . . . 0.0 109.278 179.976 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 67' ' ' GLU . . . . . 0.442 ' HG2' ' N ' ' A' ' 68' ' ' VAL . 29.6 tt0 -149.8 148.7 29.5 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.441 1.088 . . . . 0.0 110.318 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 68' ' ' VAL . . . . . 0.723 ' O ' HG23 ' A' ' 71' ' ' VAL . 95.3 t -148.25 121.56 1.8 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.5 1.125 . . . . 0.0 109.311 179.98 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 69' ' ' ASN . . . . . 0.774 ' ND2' HD23 ' A' ' 91' ' ' LEU . 1.1 t-20 51.07 26.46 2.8 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.538 1.149 . . . . 0.0 109.301 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 86.47 22.28 48.04 Favored Glycine 0 CA--C 1.529 0.959 0 O-C-N 124.488 1.117 . . . . 0.0 111.023 -179.954 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 71' ' ' VAL . . . . . 0.723 HG23 ' O ' ' A' ' 68' ' ' VAL . 81.3 t -96.17 158.76 3.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.479 0.752 . . . . 0.0 109.328 179.958 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 3.0 t0 -93.83 91.24 6.86 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.457 1.098 . . . . 0.0 109.309 -179.983 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 73' ' ' PHE . . . . . 0.842 ' CD1' HD12 ' A' ' 76' ' ' LEU . 5.1 m-85 -96.91 17.47 16.75 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.466 1.104 . . . . 0.0 111.04 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -67.48 -30.59 70.32 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.505 1.128 . . . . 0.0 110.024 179.97 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 75.4 m-20 -148.79 56.02 1.02 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.476 1.11 . . . . 0.0 109.332 -179.977 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 76' ' ' LEU . . . . . 0.842 HD12 ' CD1' ' A' ' 73' ' ' PHE . 6.3 mt -89.59 -166.99 1.73 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.496 1.123 . . . . 0.0 109.312 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 37.3 t70 -130.73 170.38 14.43 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.453 1.095 . . . . 0.0 109.315 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 78' ' ' HIS . . . . . . . . . . . . . 64.6 t-80 -71.59 -6.67 42.57 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.492 1.12 . . . . 0.0 109.567 -179.987 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 4.1 mmtt -108.62 -37.18 5.99 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.486 1.116 . . . . 0.0 109.294 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 80' ' ' GLU . . . . . 0.705 ' CB ' HD22 ' A' ' 76' ' ' LEU . 3.0 mm-40 -78.42 -38.6 41.11 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.526 1.141 . . . . 0.0 110.284 -179.979 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 81' ' ' ALA . . . . . 0.464 ' HA ' HD13 ' A' ' 76' ' ' LEU . . . -69.8 -30.89 68.54 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.46 1.1 . . . . 0.0 109.288 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 82' ' ' VAL . . . . . 0.813 HG12 ' CE ' ' A' ' 86' ' ' LYS . 11.5 t -79.63 -48.05 21.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.535 1.147 . . . . 0.0 109.333 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 45.0 t30 -54.66 -45.94 73.91 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.5 1.125 . . . . 0.0 109.31 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 84' ' ' VAL . . . . . 0.56 HG11 ' HE1' ' A' ' 73' ' ' PHE . 71.2 t -67.81 -24.97 31.46 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 O-C-N 124.522 1.139 . . . . 0.0 109.288 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 85' ' ' LEU . . . . . 0.419 HD23 ' HA ' ' A' ' 85' ' ' LEU . 15.2 mt -81.05 -40.41 24.24 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.546 1.154 . . . . 0.0 109.332 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 86' ' ' LYS . . . . . 0.813 ' CE ' HG12 ' A' ' 82' ' ' VAL . 0.9 OUTLIER -84.49 -1.51 55.85 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.484 1.115 . . . . 0.0 109.271 -179.987 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 9.3 t -55.66 -66.67 0.38 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.447 1.092 . . . . 0.0 109.987 -179.982 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 88' ' ' SER . . . . . 0.855 ' O ' HD11 ' A' ' 91' ' ' LEU . 0.5 OUTLIER -128.77 176.74 7.58 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.508 1.13 . . . . 0.0 109.994 179.969 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 21.9 mmt85 -82.53 -58.22 3.01 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.489 1.118 . . . . 0.0 110.28 -179.932 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -78.94 108.97 12.81 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.535 1.147 . . . . 0.0 109.986 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 91' ' ' LEU . . . . . 0.855 HD11 ' O ' ' A' ' 88' ' ' SER . 1.1 mt -133.08 143.58 49.42 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.556 1.16 . . . . 0.0 109.334 179.954 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 92' ' ' THR . . . . . 0.559 ' OG1' ' CE2' ' A' ' 20' ' ' PHE . 18.8 m -103.82 100.95 10.76 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.564 1.165 . . . . 0.0 110.427 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 93' ' ' ILE . . . . . 0.548 HG23 HG23 ' A' ' 65' ' ' ILE . 15.4 mt -89.48 132.77 33.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.529 1.143 . . . . 0.0 109.329 180.0 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 94' ' ' SER . . . . . 0.628 ' O ' HG22 ' A' ' 66' ' ' VAL . 0.5 OUTLIER -114.82 102.83 10.37 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.461 1.101 . . . . 0.0 110.019 179.998 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 95' ' ' ILE . . . . . 0.565 HD13 ' HB3' ' A' ' 63' ' ' ASP . 1.6 pt -104.82 167.46 2.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.497 1.123 . . . . 0.0 109.345 179.966 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 96' ' ' VAL . . . . . 0.87 ' HB ' ' HB2' ' A' ' 99' ' ' ALA . 73.3 t -104.87 29.56 0.89 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.481 1.113 . . . . 0.0 109.304 -179.977 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 97' ' ' ALA . . . . . 0.415 ' O ' ' O ' ' A' ' 96' ' ' VAL . . . 45.29 94.58 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.522 1.139 . . . . 0.0 109.268 179.978 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . 53.44 54.88 9.43 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.487 1.117 . . . . 0.0 109.271 179.958 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 99' ' ' ALA . . . . . 0.87 ' HB2' ' HB ' ' A' ' 96' ' ' VAL . . . -62.77 -69.92 0.23 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.515 1.134 . . . . 0.0 109.273 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . -102.59 59.71 0.54 Allowed Glycine 0 CA--C 1.529 0.954 0 O-C-N 124.514 1.134 . . . . 0.0 111.019 -179.99 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -71.19 -25.43 62.52 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.494 0.761 . . . . 0.0 110.279 -179.974 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -66.88 -27.52 67.58 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.534 1.146 . . . . 0.0 110.275 -179.982 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 103' ' ' LEU . . . . . 0.456 HD23 ' HA ' ' A' ' 103' ' ' LEU . 14.8 mt -53.93 -38.94 65.43 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.462 1.101 . . . . 0.0 109.306 179.969 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 104' ' ' PHE . . . . . 0.408 ' CZ ' ' O ' ' A' ' 45' ' ' ILE . 49.0 m-85 . . . . . 0 C--N 1.325 -0.48 0 O-C-N 124.481 1.113 . . . . 0.0 111.022 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 18.3 mt-10 . . . . . 0 N--CA 1.453 -0.313 0 N-CA-C 110.298 -0.26 . . . . 0.0 110.298 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 17' ' ' LYS . . . . . 0.863 ' HE2' HD11 ' A' ' 95' ' ' ILE . 0.0 OUTLIER -116.19 144.87 43.61 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.453 1.095 . . . . 0.0 109.287 -180.0 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -92.64 135.27 34.23 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.518 1.136 . . . . 0.0 109.278 179.974 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 19' ' ' VAL . . . . . 0.435 HG23 ' O ' ' A' ' 93' ' ' ILE . 0.1 OUTLIER -135.46 116.84 19.87 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.451 1.095 . . . . 0.0 109.271 179.986 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 0.9 OUTLIER -95.01 110.49 22.39 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.46 1.1 . . . . 0.0 111.009 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 21' ' ' ILE . . . . . 0.538 HG23 ' HG ' ' A' ' 53' ' ' LEU . 28.5 mm -105.61 109.78 28.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.535 1.147 . . . . 0.0 109.298 -180.0 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 22' ' ' SER . . . . . 0.484 ' O ' HD21 ' A' ' 53' ' ' LEU . 55.8 p -112.94 134.78 54.29 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.528 1.143 . . . . 0.0 109.978 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 2.9 mm? . . . . . 0 C--N 1.325 -0.49 0 O-C-N 124.496 1.123 . . . . 0.0 109.309 179.974 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.947 0 N-CA-C 111.039 -0.824 . . . . 0.0 111.039 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 31' ' ' CYS . . . . . 0.433 ' HA ' ' O ' ' A' ' 47' ' ' HIS . 26.4 p -112.7 146.79 38.09 Favored 'General case' 0 C--N 1.325 -0.469 0 N-CA-C 108.297 -1.001 . . . . 0.0 108.297 -179.984 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -108.77 138.66 44.74 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.533 1.146 . . . . 0.0 110.03 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 33' ' ' ILE . . . . . 0.541 HD11 HG23 ' A' ' 82' ' ' VAL . 11.5 pt -106.29 146.55 12.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.515 1.134 . . . . 0.0 109.275 -179.936 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 53.6 p -128.43 160.05 33.49 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.522 1.139 . . . . 0.0 109.98 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 22.1 p -89.32 147.87 23.86 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.473 1.108 . . . . 0.0 109.968 -179.984 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -100.59 161.82 18.77 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.519 1.137 . . . . 0.0 110.994 179.976 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 -170.63 0.81 Allowed 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.47 1.774 . . . . 0.0 111.011 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 0.8 OUTLIER -73.19 -30.35 30.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.507 1.13 . . . . 0.0 109.332 179.983 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 4.2 pt20 -78.2 -29.66 48.54 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.433 1.083 . . . . 0.0 110.315 179.979 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 40' ' ' LYS . . . . . 0.95 ' HG2' HD11 ' A' ' 103' ' ' LEU . 0.4 OUTLIER -137.19 61.91 35.74 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.548 1.155 . . . . 0.0 109.31 179.953 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 41' ' ' PRO . . . . . 0.467 ' HD3' ' N ' ' A' ' 40' ' ' LYS . 18.1 Cg_endo -75.03 146.75 32.92 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.522 1.801 . . . . 0.0 110.982 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 141.67 -160.24 26.96 Favored Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.461 1.101 . . . . 0.0 110.988 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 11.7 mm -115.23 124.95 72.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.548 0.793 . . . . 0.0 109.322 179.96 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 44' ' ' PHE . . . . . 0.594 ' CD2' HD12 ' A' ' 103' ' ' LEU . 3.4 m-85 -132.78 136.92 46.61 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.509 1.131 . . . . 0.0 111.017 179.958 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 45' ' ' ILE . . . . . 0.461 ' O ' ' CE2' ' A' ' 104' ' ' PHE . 8.4 mt -63.06 143.38 15.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.498 1.124 . . . . 0.0 109.286 -179.963 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 5.7 p -111.95 -36.19 5.47 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.548 1.155 . . . . 0.0 109.997 -179.984 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 47' ' ' HIS . . . . . 0.433 ' O ' ' HA ' ' A' ' 31' ' ' CYS . 63.4 t-80 -157.17 149.11 22.59 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.518 1.136 . . . . 0.0 109.622 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--N 1.325 -0.479 0 O-C-N 124.506 1.129 . . . . 0.0 109.339 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 58.5 p . . . . . 0 N--CA 1.453 -0.31 0 N-CA-C 110.005 -0.368 . . . . 0.0 110.005 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 53' ' ' LEU . . . . . 0.538 ' HG ' HG23 ' A' ' 21' ' ' ILE . 12.1 tp -76.63 -18.75 58.42 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.457 1.098 . . . . 0.0 109.269 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 54' ' ' SER . . . . . 0.951 ' O ' HG22 ' A' ' 57' ' ' VAL . 1.1 m -95.62 -46.06 6.79 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.549 1.156 . . . . 0.0 110.004 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -58.79 -35.5 72.92 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.515 1.134 . . . . 0.0 109.298 -179.985 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 56' ' ' GLU . . . . . 0.617 ' HG3' HG13 ' A' ' 57' ' ' VAL . 2.8 pt-20 -59.95 -30.04 68.81 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.46 1.1 . . . . 0.0 110.291 179.979 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 57' ' ' VAL . . . . . 0.951 HG22 ' O ' ' A' ' 54' ' ' SER . 4.1 m -90.84 -14.98 8.62 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.457 1.098 . . . . 0.0 109.293 -179.969 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 96.39 27.43 9.93 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.52 1.138 . . . . 0.0 111.004 179.976 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 59' ' ' LEU . . . . . 0.57 HD23 ' OD2' ' A' ' 63' ' ' ASP . 10.9 mt -75.3 141.74 43.36 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.497 0.763 . . . . 0.0 109.307 179.977 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 29.9 mt-10 -140.54 171.93 13.43 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.537 1.148 . . . . 0.0 110.326 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 61' ' ' ILE . . . . . 0.412 ' O ' ' CG ' ' A' ' 101' ' ' ARG . 30.9 mt -67.12 132.53 32.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.499 1.124 . . . . 0.0 109.328 179.957 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 113.85 -32.75 5.83 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.471 1.107 . . . . 0.0 110.974 179.968 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 63' ' ' ASP . . . . . 0.593 ' CG ' HD13 ' A' ' 95' ' ' ILE . 43.2 m-20 -52.55 98.98 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.47 0.747 . . . . 0.0 109.318 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 64' ' ' GLN . . . . . 0.58 ' HB2' ' CD2' ' A' ' 44' ' ' PHE . 41.7 tt0 -82.65 122.61 28.35 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.511 1.132 . . . . 0.0 110.303 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 65' ' ' ILE . . . . . 0.604 ' CG2' ' CG2' ' A' ' 68' ' ' VAL . 92.5 mt -73.96 108.19 5.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.509 1.131 . . . . 0.0 109.259 -179.969 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 66' ' ' VAL . . . . . 0.785 HG22 ' O ' ' A' ' 94' ' ' SER . 12.8 m -96.66 -23.28 4.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.534 1.146 . . . . 0.0 109.275 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 67' ' ' GLU . . . . . 0.427 ' HA ' ' O ' ' A' ' 71' ' ' VAL . 38.0 tt0 -152.47 154.42 35.47 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.503 1.127 . . . . 0.0 110.299 179.973 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 68' ' ' VAL . . . . . 0.604 ' CG2' ' CG2' ' A' ' 65' ' ' ILE . 77.4 t -152.32 114.6 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 O-C-N 124.478 1.111 . . . . 0.0 109.29 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 69' ' ' ASN . . . . . 0.864 ' ND2' HD23 ' A' ' 91' ' ' LEU . 1.5 t-20 58.83 17.04 4.92 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.573 1.171 . . . . 0.0 109.348 -179.97 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 100.13 -1.2 56.21 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.5 1.125 . . . . 0.0 110.976 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 71' ' ' VAL . . . . . 0.464 HG21 ' CG1' ' A' ' 84' ' ' VAL . 58.4 t -75.87 145.16 11.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.494 0.761 . . . . 0.0 109.293 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 2.1 t0 -84.17 91.16 7.64 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.488 1.118 . . . . 0.0 109.316 -179.969 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 73' ' ' PHE . . . . . 0.803 ' CD1' HD12 ' A' ' 76' ' ' LEU . 3.1 m-85 -88.15 35.52 0.75 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.525 1.141 . . . . 0.0 111.0 -179.94 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 2.8 t -70.34 -65.49 0.72 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.5 1.125 . . . . 0.0 109.977 -179.945 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 2.4 m-80 -119.18 54.79 0.96 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.502 1.126 . . . . 0.0 109.246 -179.952 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 76' ' ' LEU . . . . . 0.803 HD12 ' CD1' ' A' ' 73' ' ' PHE . 6.6 mt -81.42 -166.38 1.16 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.454 1.096 . . . . 0.0 109.315 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 28.7 t70 -135.68 169.52 17.42 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.534 1.147 . . . . 0.0 109.343 179.965 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 78' ' ' HIS . . . . . . . . . . . . . 61.3 t-80 -70.58 -7.18 42.06 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.462 1.101 . . . . 0.0 109.581 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -108.22 -37.14 6.1 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.52 1.138 . . . . 0.0 109.315 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 80' ' ' GLU . . . . . 0.736 ' O ' HG23 ' A' ' 84' ' ' VAL . 2.7 mt-10 -76.53 -37.18 57.09 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.551 1.157 . . . . 0.0 110.292 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -72.66 -40.63 66.17 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.546 1.154 . . . . 0.0 109.281 179.977 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 82' ' ' VAL . . . . . 0.541 HG23 HD11 ' A' ' 33' ' ' ILE . 4.4 t -65.75 -52.17 53.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.495 1.122 . . . . 0.0 109.309 179.959 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 83' ' ' ASN . . . . . 0.462 ' HA ' ' CD ' ' A' ' 86' ' ' LYS . 6.7 t30 -53.43 -46.57 69.85 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.475 1.109 . . . . 0.0 109.298 -179.958 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 84' ' ' VAL . . . . . 0.736 HG23 ' O ' ' A' ' 80' ' ' GLU . 93.1 t -67.71 -22.13 28.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.445 1.09 . . . . 0.0 109.253 -179.97 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 25.3 mt -85.9 -31.56 22.12 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.491 1.119 . . . . 0.0 109.288 -179.97 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 86' ' ' LYS . . . . . 0.522 ' HD2' HG12 ' A' ' 82' ' ' VAL . 0.0 OUTLIER -97.2 -0.99 45.87 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.506 1.129 . . . . 0.0 109.346 179.971 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 87' ' ' SER . . . . . 0.458 ' N ' ' O ' ' A' ' 83' ' ' ASN . 8.5 t -53.18 -70.36 0.09 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.487 1.117 . . . . 0.0 110.032 -179.97 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 88' ' ' SER . . . . . 0.425 ' O ' HD11 ' A' ' 91' ' ' LEU . 0.4 OUTLIER -116.74 -178.71 3.49 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.495 1.122 . . . . 0.0 110.002 179.955 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 12.2 mmt85 -83.99 -56.76 3.5 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.523 1.139 . . . . 0.0 110.279 -179.98 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -85.78 117.66 24.79 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.475 1.109 . . . . 0.0 110.035 179.976 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 91' ' ' LEU . . . . . 0.864 HD23 ' ND2' ' A' ' 69' ' ' ASN . 1.1 mt -135.68 147.29 48.48 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.463 1.102 . . . . 0.0 109.293 179.958 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 92.7 m -109.93 101.18 10.04 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.45 1.094 . . . . 0.0 110.365 -179.952 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 93' ' ' ILE . . . . . 0.435 ' O ' HG23 ' A' ' 19' ' ' VAL . 11.2 mt -89.07 136.15 24.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.481 1.113 . . . . 0.0 109.28 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 94' ' ' SER . . . . . 0.785 ' O ' HG22 ' A' ' 66' ' ' VAL . 0.3 OUTLIER -118.74 103.89 10.08 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.491 1.119 . . . . 0.0 110.011 -179.994 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 95' ' ' ILE . . . . . 0.863 HD11 ' HE2' ' A' ' 17' ' ' LYS . 1.1 pt -100.52 174.56 0.98 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.466 1.104 . . . . 0.0 109.35 179.985 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 96' ' ' VAL . . . . . 0.91 ' HB ' ' HB2' ' A' ' 99' ' ' ALA . 68.9 t -114.3 31.75 1.56 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.49 1.119 . . . . 0.0 109.303 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 97' ' ' ALA . . . . . 0.555 ' H ' HD12 ' A' ' 95' ' ' ILE . . . 45.24 96.15 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.548 1.155 . . . . 0.0 109.279 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . 46.99 59.17 4.17 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.55 1.156 . . . . 0.0 109.276 179.966 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 99' ' ' ALA . . . . . 0.91 ' HB2' ' HB ' ' A' ' 96' ' ' VAL . . . -66.04 -70.39 0.24 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.519 1.137 . . . . 0.0 109.276 -179.982 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . -105.53 60.5 0.39 Allowed Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.431 1.082 . . . . 0.0 111.009 179.971 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 101' ' ' ARG . . . . . 0.412 ' CG ' ' O ' ' A' ' 61' ' ' ILE . 0.0 OUTLIER -72.26 -31.46 65.79 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.498 0.763 . . . . 0.0 110.301 179.995 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 11.6 pt-20 -61.38 -25.45 67.18 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.508 1.13 . . . . 0.0 110.279 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 103' ' ' LEU . . . . . 0.95 HD11 ' HG2' ' A' ' 40' ' ' LYS . 86.3 mt -54.18 -25.09 20.81 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.501 1.126 . . . . 0.0 109.348 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 104' ' ' PHE . . . . . 0.461 ' CE2' ' O ' ' A' ' 45' ' ' ILE . 86.4 m-85 . . . . . 0 C--N 1.325 -0.474 0 O-C-N 124.472 1.107 . . . . 0.0 111.025 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 16' ' ' GLU . . . . . 0.418 ' HG3' HG22 ' A' ' 96' ' ' VAL . 20.9 mt-10 . . . . . 0 N--CA 1.454 -0.263 0 N-CA-C 110.292 -0.262 . . . . 0.0 110.292 . . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 17' ' ' LYS . . . . . 0.548 ' CE ' HD11 ' A' ' 95' ' ' ILE . 0.1 OUTLIER -111.21 144.13 40.86 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.48 1.112 . . . . 0.0 109.347 179.969 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 18' ' ' LYS . . . . . 0.614 ' HD3' HG23 ' A' ' 92' ' ' THR . 0.2 OUTLIER -94.8 139.01 31.86 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.512 1.133 . . . . 0.0 109.311 -179.999 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 19' ' ' VAL . . . . . 0.455 HG23 ' HB ' ' A' ' 93' ' ' ILE . 3.5 m -140.64 124.22 17.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.556 1.16 . . . . 0.0 109.283 179.988 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 20' ' ' PHE . . . . . 0.598 ' CE2' ' OG1' ' A' ' 92' ' ' THR . 0.1 OUTLIER -96.99 122.16 39.67 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.491 1.119 . . . . 0.0 110.972 -179.977 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 21' ' ' ILE . . . . . 0.694 HG23 ' HB3' ' A' ' 53' ' ' LEU . 9.3 mm -108.15 118.58 56.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.472 1.108 . . . . 0.0 109.32 179.972 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 79.1 p -110.93 113.84 26.71 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.445 1.091 . . . . 0.0 109.98 -179.989 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 3.9 mm? . . . . . 0 C--N 1.325 -0.492 0 O-C-N 124.521 1.138 . . . . 0.0 109.273 -179.997 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.985 0 N-CA-C 111.006 -0.838 . . . . 0.0 111.006 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 31' ' ' CYS . . . . . 0.435 ' HA ' ' O ' ' A' ' 47' ' ' HIS . 20.1 p -117.4 143.3 46.13 Favored 'General case' 0 C--N 1.325 -0.476 0 N-CA-C 108.289 -1.004 . . . . 0.0 108.289 179.983 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -99.4 137.65 37.6 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.485 1.116 . . . . 0.0 109.963 -179.971 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 33' ' ' ILE . . . . . 0.525 HD11 ' CG2' ' A' ' 82' ' ' VAL . 11.8 pt -112.34 144.67 19.62 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.504 1.127 . . . . 0.0 109.262 -179.971 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 14.7 m -127.27 141.05 51.82 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.533 1.146 . . . . 0.0 110.002 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 22.3 p -78.54 127.71 32.53 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.472 1.107 . . . . 0.0 109.993 -179.969 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -74.35 166.09 54.78 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.451 1.094 . . . . 0.0 111.012 180.0 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.06 -173.43 1.57 Allowed 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.464 1.77 . . . . 0.0 110.994 179.98 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 0.7 OUTLIER -71.41 -29.99 37.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.437 1.085 . . . . 0.0 109.282 -179.96 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 15.1 pt20 -78.2 -29.25 48.34 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.486 1.116 . . . . 0.0 110.316 179.979 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 40' ' ' LYS . . . . . 0.458 ' N ' ' HD3' ' A' ' 41' ' ' PRO . 7.1 tttt -137.84 62.54 34.67 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.522 1.139 . . . . 0.0 109.33 179.967 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 41' ' ' PRO . . . . . 0.458 ' HD3' ' N ' ' A' ' 40' ' ' LYS . 18.3 Cg_endo -75.04 144.7 30.42 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.483 1.781 . . . . 0.0 111.017 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 152.46 -153.59 24.98 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.513 1.133 . . . . 0.0 110.972 -179.967 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 43' ' ' ILE . . . . . 0.698 HG22 HD12 ' A' ' 65' ' ' ILE . 33.5 mm -126.61 126.56 69.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.502 0.766 . . . . 0.0 109.279 -179.972 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 44' ' ' PHE . . . . . 0.594 ' CD2' ' HB2' ' A' ' 64' ' ' GLN . 1.9 m-85 -133.92 151.61 51.56 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.468 1.105 . . . . 0.0 111.015 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 45' ' ' ILE . . . . . 0.463 ' O ' ' CE2' ' A' ' 104' ' ' PHE . 26.2 mt -83.51 142.12 13.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.515 1.134 . . . . 0.0 109.323 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 28.5 t -110.34 -36.26 5.84 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.566 1.167 . . . . 0.0 109.975 -179.98 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 47' ' ' HIS . . . . . 0.435 ' O ' ' HA ' ' A' ' 31' ' ' CYS . 58.4 t-80 -157.69 156.25 31.39 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.473 1.108 . . . . 0.0 109.593 -179.974 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--N 1.325 -0.471 0 O-C-N 124.518 1.136 . . . . 0.0 109.343 -179.994 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 98.1 p . . . . . 0 N--CA 1.453 -0.294 0 N-CA-C 110.032 -0.359 . . . . 0.0 110.032 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 53' ' ' LEU . . . . . 0.694 ' HB3' HG23 ' A' ' 21' ' ' ILE . 0.5 OUTLIER -61.8 -15.67 43.5 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.52 1.137 . . . . 0.0 109.289 -179.966 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 54' ' ' SER . . . . . 0.517 ' O ' HG22 ' A' ' 57' ' ' VAL . 0.1 OUTLIER -92.35 -41.88 10.1 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.48 1.113 . . . . 0.0 110.006 179.995 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -63.16 -44.45 95.46 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.46 1.1 . . . . 0.0 109.339 179.961 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 56' ' ' GLU . . . . . 0.566 ' HG3' HG13 ' A' ' 57' ' ' VAL . 8.6 pt-20 -52.36 -34.67 48.7 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.494 1.121 . . . . 0.0 110.347 179.958 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 57' ' ' VAL . . . . . 0.566 HG13 ' HG3' ' A' ' 56' ' ' GLU . 26.9 m -91.72 -19.73 6.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.498 1.124 . . . . 0.0 109.325 179.968 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 92.0 25.81 21.09 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.47 1.106 . . . . 0.0 111.002 -179.988 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 59' ' ' LEU . . . . . 0.456 ' HG ' HG23 ' A' ' 57' ' ' VAL . 13.9 mt -66.44 138.11 57.32 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.477 0.751 . . . . 0.0 109.331 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 24.5 mt-10 -127.74 168.86 14.51 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.524 1.14 . . . . 0.0 110.312 -179.975 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 61' ' ' ILE . . . . . 0.451 ' O ' ' CG ' ' A' ' 101' ' ' ARG . 22.9 mt -62.17 139.38 20.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.478 1.111 . . . . 0.0 109.313 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 106.59 -33.43 6.45 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.513 1.133 . . . . 0.0 111.057 -179.981 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 63' ' ' ASP . . . . . 0.549 ' CG ' HD13 ' A' ' 95' ' ' ILE . 65.9 m-20 -49.7 97.21 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.531 0.783 . . . . 0.0 109.271 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 64' ' ' GLN . . . . . 0.635 ' HB3' ' HB3' ' A' ' 99' ' ' ALA . 50.5 tt0 -83.2 127.25 33.46 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.521 1.138 . . . . 0.0 110.314 179.966 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 65' ' ' ILE . . . . . 0.746 HG23 HG23 ' A' ' 93' ' ' ILE . 17.5 mt -80.57 109.12 14.67 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.434 0 O-C-N 124.483 1.115 . . . . 0.0 109.317 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 66' ' ' VAL . . . . . 0.509 HG22 ' O ' ' A' ' 94' ' ' SER . 3.5 m -98.18 -25.92 3.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.529 1.143 . . . . 0.0 109.303 -179.983 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 67' ' ' GLU . . . . . 0.435 ' HA ' ' O ' ' A' ' 71' ' ' VAL . 27.2 tt0 -145.28 153.15 40.98 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.523 1.139 . . . . 0.0 110.288 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 68' ' ' VAL . . . . . 0.624 ' CG2' ' CG2' ' A' ' 65' ' ' ILE . 86.3 t -152.62 112.58 0.41 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.509 1.131 . . . . 0.0 109.334 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 69' ' ' ASN . . . . . 0.819 HD22 HD23 ' A' ' 91' ' ' LEU . 1.1 t-20 53.29 25.73 4.69 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.474 1.109 . . . . 0.0 109.319 -179.958 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 88.95 18.63 53.79 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.547 1.155 . . . . 0.0 111.025 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 71' ' ' VAL . . . . . 0.474 HG23 ' O ' ' A' ' 68' ' ' VAL . 70.1 t -100.26 131.6 47.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.516 0.774 . . . . 0.0 109.286 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 2.5 t0 -68.5 84.94 0.28 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.502 1.126 . . . . 0.0 109.284 -179.978 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 73' ' ' PHE . . . . . 0.759 ' CD1' HD12 ' A' ' 76' ' ' LEU . 2.4 m-85 -87.89 18.33 4.23 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.513 1.133 . . . . 0.0 110.962 -179.965 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -74.75 -55.3 6.0 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.518 1.137 . . . . 0.0 109.964 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 85.0 m-20 -112.56 49.04 0.95 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.505 1.128 . . . . 0.0 109.294 -179.953 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 76' ' ' LEU . . . . . 0.759 HD12 ' CD1' ' A' ' 73' ' ' PHE . 6.0 mt -90.26 -166.27 1.55 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.479 1.112 . . . . 0.0 109.297 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 25.0 t70 -131.98 169.26 16.56 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.54 1.15 . . . . 0.0 109.288 179.964 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 78' ' ' HIS . . . . . . . . . . . . . 60.6 t-80 -71.3 -6.38 39.46 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.525 1.141 . . . . 0.0 109.637 179.971 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 11.9 mmtt -109.76 -36.64 5.87 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.495 1.122 . . . . 0.0 109.299 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 80' ' ' GLU . . . . . 0.698 ' CB ' HD22 ' A' ' 76' ' ' LEU . 4.4 mm-40 -76.97 -37.11 55.82 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.506 1.129 . . . . 0.0 110.266 179.994 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 81' ' ' ALA . . . . . 0.422 ' CB ' HG13 ' A' ' 43' ' ' ILE . . . -71.26 -35.23 71.32 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.467 1.104 . . . . 0.0 109.35 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 82' ' ' VAL . . . . . 0.838 HG12 ' CE ' ' A' ' 86' ' ' LYS . 41.1 t -79.13 -36.64 18.55 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 O-C-N 124.509 1.131 . . . . 0.0 109.301 179.983 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 22.4 t-20 -63.03 -46.95 85.16 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.504 1.128 . . . . 0.0 109.294 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 84' ' ' VAL . . . . . 0.466 HG11 ' HE1' ' A' ' 73' ' ' PHE . 78.9 t -70.04 -33.26 54.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.477 1.111 . . . . 0.0 109.301 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 15.1 mt -73.12 -36.77 66.79 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.455 1.097 . . . . 0.0 109.297 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 86' ' ' LYS . . . . . 0.838 ' CE ' HG12 ' A' ' 82' ' ' VAL . 9.6 ptpt -90.29 -3.11 57.98 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.519 1.137 . . . . 0.0 109.323 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 46.7 t -59.13 -60.23 4.2 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.533 1.145 . . . . 0.0 109.995 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -120.19 -176.11 3.13 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.482 1.113 . . . . 0.0 109.989 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 17.0 mmt180 -91.9 -55.42 3.46 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.492 1.12 . . . . 0.0 110.308 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 1.4 m -90.63 121.03 32.19 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.519 1.137 . . . . 0.0 110.014 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 91' ' ' LEU . . . . . 0.819 HD23 HD22 ' A' ' 69' ' ' ASN . 1.1 mt -140.48 142.67 35.28 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.557 1.161 . . . . 0.0 109.279 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 92' ' ' THR . . . . . 0.614 HG23 ' HD3' ' A' ' 18' ' ' LYS . 16.3 m -98.14 101.02 12.38 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.527 1.142 . . . . 0.0 110.411 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 93' ' ' ILE . . . . . 0.746 HG23 HG23 ' A' ' 65' ' ' ILE . 21.0 mt -89.85 143.81 10.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.505 1.128 . . . . 0.0 109.269 -179.966 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 94' ' ' SER . . . . . 0.509 ' O ' HG22 ' A' ' 66' ' ' VAL . 0.3 OUTLIER -124.76 103.23 7.98 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.505 1.128 . . . . 0.0 110.006 179.996 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 95' ' ' ILE . . . . . 0.557 HD12 ' H ' ' A' ' 97' ' ' ALA . 1.1 pt -100.35 167.17 2.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.533 1.146 . . . . 0.0 109.332 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 96' ' ' VAL . . . . . 0.847 ' HB ' ' HB2' ' A' ' 99' ' ' ALA . 79.2 t -110.57 35.22 0.69 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.522 1.139 . . . . 0.0 109.331 179.988 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 97' ' ' ALA . . . . . 0.557 ' H ' HD12 ' A' ' 95' ' ' ILE . . . 46.51 95.0 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.551 1.157 . . . . 0.0 109.303 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 98' ' ' ALA . . . . . 0.704 ' HB1' ' HG3' ' A' ' 101' ' ' ARG . . . 44.19 59.49 3.2 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.475 1.109 . . . . 0.0 109.295 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 99' ' ' ALA . . . . . 0.847 ' HB2' ' HB ' ' A' ' 96' ' ' VAL . . . -62.05 -57.52 11.29 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.515 1.134 . . . . 0.0 109.286 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . -113.6 58.74 0.41 Allowed Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.52 1.137 . . . . 0.0 110.985 -179.976 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 101' ' ' ARG . . . . . 0.704 ' HG3' ' HB1' ' A' ' 98' ' ' ALA . 0.0 OUTLIER -71.02 -35.83 72.17 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.474 0.75 . . . . 0.0 110.292 -179.995 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 1.3 pt-20 -57.69 -29.58 64.79 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.522 1.139 . . . . 0.0 110.317 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 69.4 mt -53.17 -38.92 63.2 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.506 1.129 . . . . 0.0 109.295 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 104' ' ' PHE . . . . . 0.463 ' CE2' ' O ' ' A' ' 45' ' ' ILE . 65.1 m-85 . . . . . 0 C--N 1.326 -0.451 0 O-C-N 124.528 1.143 . . . . 0.0 110.975 -179.967 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 21.8 mt-10 . . . . . 0 N--CA 1.452 -0.328 0 N-CA-C 110.336 -0.246 . . . . 0.0 110.336 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 17' ' ' LYS . . . . . 0.776 ' HE2' HD11 ' A' ' 95' ' ' ILE . 0.0 OUTLIER -113.71 143.14 45.11 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.511 1.132 . . . . 0.0 109.316 179.992 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -95.42 128.89 42.64 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.468 1.105 . . . . 0.0 109.312 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 19' ' ' VAL . . . . . 0.455 HG23 ' HB ' ' A' ' 93' ' ' ILE . 2.5 m -129.08 130.34 68.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.461 1.101 . . . . 0.0 109.299 179.978 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 20' ' ' PHE . . . . . 0.566 ' CD2' ' OG1' ' A' ' 92' ' ' THR . 0.4 OUTLIER -107.25 115.08 29.55 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.517 1.136 . . . . 0.0 110.995 179.991 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 21' ' ' ILE . . . . . 0.474 HG22 ' CD2' ' A' ' 23' ' ' LEU . 14.6 mm -103.39 112.6 37.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.482 1.114 . . . . 0.0 109.275 179.974 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 22' ' ' SER . . . . . 0.46 ' C ' HD22 ' A' ' 23' ' ' LEU . 33.5 t -105.08 137.46 42.81 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.516 1.135 . . . . 0.0 109.991 179.973 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.474 ' CD2' HG22 ' A' ' 21' ' ' ILE . 3.4 mm? . . . . . 0 C--N 1.325 -0.486 0 O-C-N 124.486 1.116 . . . . 0.0 109.344 179.962 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.014 0 N-CA-C 111.015 -0.834 . . . . 0.0 111.015 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 28.5 p -120.63 146.67 46.15 Favored 'General case' 0 C--N 1.326 -0.441 0 N-CA-C 108.314 -0.995 . . . . 0.0 108.314 -179.963 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -105.11 140.38 38.37 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.513 1.133 . . . . 0.0 109.961 -179.95 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 33' ' ' ILE . . . . . 0.405 HD11 ' CG2' ' A' ' 82' ' ' VAL . 6.6 pt -106.09 148.88 10.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.444 1.09 . . . . 0.0 109.289 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 1.1 p -123.34 168.7 12.16 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.432 1.082 . . . . 0.0 110.04 -179.99 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 11.9 p -109.02 124.5 50.83 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.542 1.151 . . . . 0.0 109.971 179.999 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -74.23 163.24 54.48 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.502 1.126 . . . . 0.0 111.023 179.963 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 -170.98 0.86 Allowed 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.498 1.788 . . . . 0.0 111.013 179.979 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 5.5 tt -72.84 -30.14 31.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.506 1.128 . . . . 0.0 109.296 179.985 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 7.2 pt20 -77.6 -29.99 52.19 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.486 1.116 . . . . 0.0 110.318 -179.997 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 40' ' ' LYS . . . . . 0.56 ' HD3' HD11 ' A' ' 103' ' ' LEU . 27.9 tttp -138.8 62.75 29.25 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.457 1.098 . . . . 0.0 109.262 -179.973 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 41' ' ' PRO . . . . . 0.456 ' HD3' ' N ' ' A' ' 40' ' ' LYS . 18.2 Cg_endo -75.05 145.63 31.5 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.476 1.777 . . . . 0.0 110.961 -179.988 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 155.85 -151.76 23.25 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.494 1.121 . . . . 0.0 111.042 179.985 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 43' ' ' ILE . . . . . 0.575 HG22 ' CD1' ' A' ' 65' ' ' ILE . 13.2 mm -134.32 116.12 21.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.527 0.78 . . . . 0.0 109.306 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 44' ' ' PHE . . . . . 0.591 ' CD2' ' HB2' ' A' ' 64' ' ' GLN . 1.4 m-85 -124.61 150.52 45.9 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.503 1.127 . . . . 0.0 111.026 179.984 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 45' ' ' ILE . . . . . 0.489 HG21 ' CG2' ' A' ' 48' ' ' VAL . 13.7 mt -75.63 136.6 24.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.482 1.114 . . . . 0.0 109.303 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 3.1 p -100.03 -40.41 7.64 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.425 1.078 . . . . 0.0 109.999 179.982 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 57.3 t-80 -146.48 161.96 39.31 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.547 1.154 . . . . 0.0 109.608 179.989 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 48' ' ' VAL . . . . . 0.489 ' CG2' HG21 ' A' ' 45' ' ' ILE . 75.0 t . . . . . 0 C--N 1.325 -0.491 0 O-C-N 124.578 1.174 . . . . 0.0 109.321 -179.981 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 42.6 p . . . . . 0 N--CA 1.453 -0.282 0 N-CA-C 110.01 -0.367 . . . . 0.0 110.01 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 53' ' ' LEU . . . . . 0.698 HD12 ' CD ' ' A' ' 56' ' ' GLU . 11.9 tp -78.9 -16.01 57.59 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.468 1.105 . . . . 0.0 109.33 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 54' ' ' SER . . . . . 0.809 ' O ' HG22 ' A' ' 57' ' ' VAL . 0.0 OUTLIER -94.99 -39.51 10.14 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.489 1.118 . . . . 0.0 110.003 179.968 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -66.57 -40.52 89.03 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.456 1.097 . . . . 0.0 109.301 -179.998 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 56' ' ' GLU . . . . . 0.698 ' CD ' HD12 ' A' ' 53' ' ' LEU . 6.8 pt-20 -54.39 -37.33 64.9 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.517 1.135 . . . . 0.0 110.286 -179.992 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 57' ' ' VAL . . . . . 0.809 HG22 ' O ' ' A' ' 54' ' ' SER . 13.5 m -82.5 -26.7 8.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.498 1.124 . . . . 0.0 109.305 179.996 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 108.26 37.82 2.06 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.46 1.1 . . . . 0.0 111.028 -179.963 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 59' ' ' LEU . . . . . 0.512 ' HG ' HG23 ' A' ' 57' ' ' VAL . 35.4 mt -93.34 142.07 27.73 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.486 0.757 . . . . 0.0 109.277 -179.988 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 29.5 mt-10 -144.11 173.24 11.91 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.506 1.129 . . . . 0.0 110.304 179.971 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 69.2 mt -59.69 131.86 24.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.533 1.146 . . . . 0.0 109.337 179.971 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 62' ' ' GLY . . . . . 0.45 ' O ' ' N ' ' A' ' 64' ' ' GLN . . . 114.98 -41.73 2.1 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.491 1.119 . . . . 0.0 110.975 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 63' ' ' ASP . . . . . 0.629 ' CG ' HD13 ' A' ' 95' ' ' ILE . 84.4 m-20 -44.77 96.35 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.472 0.748 . . . . 0.0 109.338 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 64' ' ' GLN . . . . . 0.591 ' HB2' ' CD2' ' A' ' 44' ' ' PHE . 48.3 tt0 -82.89 122.61 28.47 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.54 1.15 . . . . 0.0 110.314 -179.982 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 65' ' ' ILE . . . . . 0.588 ' CG2' ' CG2' ' A' ' 68' ' ' VAL . 2.5 mp -73.43 110.5 6.99 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.464 1.102 . . . . 0.0 109.262 -179.946 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 66' ' ' VAL . . . . . 0.767 HG22 ' O ' ' A' ' 94' ' ' SER . 20.9 m -99.96 -22.36 4.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.476 1.11 . . . . 0.0 109.308 179.978 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 67' ' ' GLU . . . . . 0.457 ' HA ' ' O ' ' A' ' 71' ' ' VAL . 32.9 tt0 -152.88 153.9 33.99 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.51 1.131 . . . . 0.0 110.291 179.975 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 68' ' ' VAL . . . . . 0.597 ' HB ' ' CE1' ' A' ' 73' ' ' PHE . 85.6 t -152.79 114.7 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.498 1.124 . . . . 0.0 109.327 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 69' ' ' ASN . . . . . 0.818 ' ND2' HD23 ' A' ' 91' ' ' LEU . 1.1 t-20 56.22 19.68 4.04 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.547 1.155 . . . . 0.0 109.332 -179.948 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 94.56 10.98 57.53 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.445 1.09 . . . . 0.0 110.986 179.986 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 71' ' ' VAL . . . . . 0.593 HG11 HG11 ' A' ' 84' ' ' VAL . 63.8 t -90.54 138.97 18.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.478 0.752 . . . . 0.0 109.285 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 1.1 t70 -75.24 91.15 2.62 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.463 1.102 . . . . 0.0 109.265 -179.997 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 73' ' ' PHE . . . . . 0.778 ' CD1' HD12 ' A' ' 76' ' ' LEU . 3.0 m-85 -92.17 12.94 20.51 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.472 1.108 . . . . 0.0 111.003 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -60.72 -58.12 9.81 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.541 1.151 . . . . 0.0 110.019 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -118.97 59.48 0.83 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.467 1.105 . . . . 0.0 109.275 -179.998 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 76' ' ' LEU . . . . . 0.778 HD12 ' CD1' ' A' ' 73' ' ' PHE . 6.7 mt -94.91 -167.37 1.62 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.506 1.129 . . . . 0.0 109.31 179.971 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 45.1 t0 -132.0 170.84 14.36 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.466 1.103 . . . . 0.0 109.345 179.954 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 78' ' ' HIS . . . . . . . . . . . . . 63.4 t-80 -71.65 -7.23 46.61 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.519 1.137 . . . . 0.0 109.666 179.977 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -107.47 -38.05 6.03 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.478 1.111 . . . . 0.0 109.322 179.996 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 80' ' ' GLU . . . . . 0.698 ' CB ' HD22 ' A' ' 76' ' ' LEU . 2.6 mm-40 -77.04 -37.38 54.93 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.51 1.131 . . . . 0.0 110.295 -179.98 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -72.48 -34.61 67.81 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.567 1.167 . . . . 0.0 109.329 179.97 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 82' ' ' VAL . . . . . 0.788 HG12 ' CE ' ' A' ' 86' ' ' LYS . 39.5 t -77.42 -42.56 30.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.459 1.1 . . . . 0.0 109.264 -179.985 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 40.5 t30 -60.28 -45.8 92.06 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.496 1.123 . . . . 0.0 109.296 179.984 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 84' ' ' VAL . . . . . 0.593 HG11 HG11 ' A' ' 71' ' ' VAL . 76.7 t -70.54 -30.93 44.65 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.535 1.147 . . . . 0.0 109.288 179.997 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 19.0 mt -75.46 -33.06 60.83 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.486 1.116 . . . . 0.0 109.293 -179.968 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 86' ' ' LYS . . . . . 0.788 ' CE ' HG12 ' A' ' 82' ' ' VAL . 0.3 OUTLIER -91.52 -1.72 57.42 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.507 1.129 . . . . 0.0 109.319 179.976 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 1.7 t -54.66 -68.25 0.2 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.505 1.128 . . . . 0.0 110.005 -179.983 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 88' ' ' SER . . . . . 0.774 ' O ' HD11 ' A' ' 91' ' ' LEU . 0.3 OUTLIER -122.48 179.52 4.56 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.452 1.095 . . . . 0.0 110.016 179.987 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 4.2 mmt180 -85.7 -57.24 3.13 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.504 1.128 . . . . 0.0 110.294 -179.995 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -80.88 107.59 13.82 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.463 1.102 . . . . 0.0 109.98 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 91' ' ' LEU . . . . . 0.818 HD23 ' ND2' ' A' ' 69' ' ' ASN . 1.1 mt -131.95 142.56 49.66 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.549 1.156 . . . . 0.0 109.312 -179.986 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 92' ' ' THR . . . . . 0.566 ' OG1' ' CD2' ' A' ' 20' ' ' PHE . 1.1 m -102.37 101.74 12.01 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.424 1.077 . . . . 0.0 110.419 179.978 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 93' ' ' ILE . . . . . 0.5 HG23 HG23 ' A' ' 65' ' ' ILE . 19.4 mt -89.24 138.55 19.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.485 1.116 . . . . 0.0 109.301 -179.978 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 94' ' ' SER . . . . . 0.767 ' O ' HG22 ' A' ' 66' ' ' VAL . 0.3 OUTLIER -121.36 104.41 9.68 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.536 1.148 . . . . 0.0 110.03 179.984 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 95' ' ' ILE . . . . . 0.776 HD11 ' HE2' ' A' ' 17' ' ' LYS . 1.1 pt -100.75 172.14 1.29 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.519 1.137 . . . . 0.0 109.306 -179.98 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 96' ' ' VAL . . . . . 0.902 ' HB ' ' HB2' ' A' ' 99' ' ' ALA . 75.7 t -112.36 32.92 1.11 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.437 1.086 . . . . 0.0 109.288 179.97 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 97' ' ' ALA . . . . . 0.633 ' H ' HD12 ' A' ' 95' ' ' ILE . . . 45.72 95.4 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.486 1.117 . . . . 0.0 109.287 179.936 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 98' ' ' ALA . . . . . 0.602 ' HB1' ' HG3' ' A' ' 101' ' ' ARG . . . 44.98 59.94 3.21 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.504 1.127 . . . . 0.0 109.25 179.996 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 99' ' ' ALA . . . . . 0.902 ' HB2' ' HB ' ' A' ' 96' ' ' VAL . . . -65.4 -68.38 0.37 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.509 1.131 . . . . 0.0 109.286 179.962 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . -101.57 57.01 0.68 Allowed Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.489 1.118 . . . . 0.0 110.998 -179.99 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 101' ' ' ARG . . . . . 0.602 ' HG3' ' HB1' ' A' ' 98' ' ' ALA . 0.0 OUTLIER -71.52 -20.15 62.08 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.492 0.76 . . . . 0.0 110.329 179.949 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -76.02 -14.54 60.22 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.509 1.131 . . . . 0.0 110.307 179.968 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 103' ' ' LEU . . . . . 0.56 HD11 ' HD3' ' A' ' 40' ' ' LYS . 26.2 mt -68.37 -16.64 64.0 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.475 1.109 . . . . 0.0 109.292 179.98 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 104' ' ' PHE . . . . . . . . . . . . . 58.4 m-85 . . . . . 0 C--N 1.325 -0.487 0 O-C-N 124.481 1.113 . . . . 0.0 110.946 -179.956 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 16' ' ' GLU . . . . . 0.406 ' HA ' ' O ' ' A' ' 95' ' ' ILE . 11.3 mt-10 . . . . . 0 N--CA 1.453 -0.303 0 N-CA-C 110.312 -0.255 . . . . 0.0 110.312 . . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 17' ' ' LYS . . . . . 0.493 ' CE ' HD11 ' A' ' 95' ' ' ILE . 0.1 OUTLIER -130.0 147.46 51.76 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.46 1.1 . . . . 0.0 109.368 179.999 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 18' ' ' LYS . . . . . 0.458 ' HD3' ' CG2' ' A' ' 92' ' ' THR . 0.0 OUTLIER -98.83 118.65 36.06 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.481 1.113 . . . . 0.0 109.266 -179.923 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 0.7 OUTLIER -126.16 123.46 63.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.491 1.12 . . . . 0.0 109.285 -179.969 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 20' ' ' PHE . . . . . 0.585 ' CE2' ' OG1' ' A' ' 92' ' ' THR . 0.1 OUTLIER -106.81 113.64 27.26 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.489 1.118 . . . . 0.0 111.001 179.982 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 21' ' ' ILE . . . . . 0.493 ' CG1' HD12 ' A' ' 93' ' ' ILE . 24.8 mm -95.95 127.11 48.3 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.461 1.101 . . . . 0.0 109.345 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 22' ' ' SER . . . . . 0.596 ' O ' HD11 ' A' ' 53' ' ' LEU . 0.3 OUTLIER -121.03 123.53 42.6 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.526 1.141 . . . . 0.0 110.009 -179.99 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.458 HD13 ' HA ' ' A' ' 23' ' ' LEU . 4.2 mm? . . . . . 0 C--N 1.325 -0.466 0 O-C-N 124.476 1.11 . . . . 0.0 109.311 -179.995 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.959 0 N-CA-C 111.01 -0.836 . . . . 0.0 111.01 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 31' ' ' CYS . . . . . 0.425 ' HA ' ' O ' ' A' ' 47' ' ' HIS . 9.1 p -125.91 142.19 51.63 Favored 'General case' 0 C--N 1.325 -0.473 0 N-CA-C 108.313 -0.995 . . . . 0.0 108.313 179.972 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -101.04 138.85 37.54 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.497 1.123 . . . . 0.0 109.959 -179.963 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 9.6 pt -115.12 145.08 21.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.532 1.145 . . . . 0.0 109.293 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 1.3 t -130.59 169.14 16.0 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.523 1.14 . . . . 0.0 110.015 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 36.2 p -105.17 131.62 52.42 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.444 1.09 . . . . 0.0 110.029 179.973 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -76.57 170.47 54.96 Favored Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.467 1.104 . . . . 0.0 111.026 179.974 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 -174.15 1.84 Allowed 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.48 1.779 . . . . 0.0 111.004 -179.969 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 0.7 OUTLIER -71.0 -29.81 38.66 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.484 1.115 . . . . 0.0 109.302 -179.969 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 6.7 pt20 -77.27 -30.36 54.29 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.486 1.116 . . . . 0.0 110.304 -179.99 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 40' ' ' LYS . . . . . 0.559 ' HD3' HD11 ' A' ' 103' ' ' LEU . 24.3 tttp -139.0 62.43 26.29 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.504 1.127 . . . . 0.0 109.331 179.993 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 41' ' ' PRO . . . . . 0.454 ' HD3' ' N ' ' A' ' 40' ' ' LYS . 18.6 Cg_endo -74.92 145.31 31.6 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.502 1.791 . . . . 0.0 111.025 179.969 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 154.6 -154.81 25.78 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.502 1.126 . . . . 0.0 110.963 179.962 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 43' ' ' ILE . . . . . 0.586 HG22 HD12 ' A' ' 65' ' ' ILE . 6.7 mm -127.12 118.15 49.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.487 0.757 . . . . 0.0 109.333 -179.966 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 44' ' ' PHE . . . . . 0.567 ' CD2' ' HB2' ' A' ' 64' ' ' GLN . 2.7 m-85 -128.76 137.55 51.61 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.518 1.136 . . . . 0.0 111.03 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 45' ' ' ILE . . . . . 0.594 ' O ' ' CZ ' ' A' ' 104' ' ' PHE . 21.6 mt -63.92 140.28 19.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.581 1.176 . . . . 0.0 109.275 -179.955 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 46' ' ' SER . . . . . 0.503 ' HA ' ' CE1' ' A' ' 104' ' ' PHE . 0.0 OUTLIER -107.1 -34.32 7.19 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.494 1.121 . . . . 0.0 109.958 179.99 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 47' ' ' HIS . . . . . 0.425 ' O ' ' HA ' ' A' ' 31' ' ' CYS . 24.6 t-80 -161.06 147.29 14.69 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.483 1.114 . . . . 0.0 109.574 179.997 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 48' ' ' VAL . . . . . 0.475 HG21 ' HB2' ' A' ' 54' ' ' SER . 1.3 p . . . . . 0 C--N 1.324 -0.527 0 O-C-N 124.515 1.135 . . . . 0.0 109.311 179.991 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 90.1 p . . . . . 0 N--CA 1.453 -0.288 0 N-CA-C 109.967 -0.383 . . . . 0.0 109.967 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 53' ' ' LEU . . . . . 0.596 HD11 ' O ' ' A' ' 22' ' ' SER . 0.5 OUTLIER -81.69 -10.17 59.46 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.506 1.128 . . . . 0.0 109.321 179.97 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 54' ' ' SER . . . . . 0.995 ' O ' HG22 ' A' ' 57' ' ' VAL . 0.7 OUTLIER -95.61 -47.47 6.21 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.517 1.136 . . . . 0.0 109.999 179.986 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -56.05 -37.14 68.86 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.452 1.095 . . . . 0.0 109.323 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 56' ' ' GLU . . . . . 0.609 ' HG3' HG13 ' A' ' 57' ' ' VAL . 2.7 pt-20 -57.4 -31.82 66.21 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.507 1.13 . . . . 0.0 110.297 179.962 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 57' ' ' VAL . . . . . 0.995 HG22 ' O ' ' A' ' 54' ' ' SER . 3.6 m -89.12 -22.43 6.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.457 1.098 . . . . 0.0 109.297 -179.968 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 102.45 32.51 4.83 Favored Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.519 1.137 . . . . 0.0 110.973 179.961 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 59' ' ' LEU . . . . . 0.569 HD12 ' HB3' ' A' ' 54' ' ' SER . 12.5 mt -80.0 141.99 35.42 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.52 0.777 . . . . 0.0 109.326 179.935 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 17.0 mt-10 -142.91 172.97 11.98 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.484 1.115 . . . . 0.0 110.289 -179.966 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 25.1 mt -67.93 129.46 32.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.513 1.133 . . . . 0.0 109.263 179.976 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 116.81 -21.33 11.34 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.51 1.131 . . . . 0.0 111.035 179.98 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 63' ' ' ASP . . . . . 0.639 ' CG ' HD13 ' A' ' 95' ' ' ILE . 74.1 m-20 -65.98 98.33 0.42 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.507 0.769 . . . . 0.0 109.333 179.967 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 64' ' ' GLN . . . . . 0.567 ' HB2' ' CD2' ' A' ' 44' ' ' PHE . 49.3 tt0 -83.08 120.66 26.04 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.554 1.159 . . . . 0.0 110.261 -179.951 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 65' ' ' ILE . . . . . 0.611 ' CG2' ' CG2' ' A' ' 68' ' ' VAL . 28.5 mt -71.72 106.2 2.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.474 1.109 . . . . 0.0 109.319 179.984 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 66' ' ' VAL . . . . . 0.901 HG22 ' O ' ' A' ' 94' ' ' SER . 15.0 m -95.36 -23.37 5.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.472 1.108 . . . . 0.0 109.29 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 67' ' ' GLU . . . . . 0.418 ' HG2' ' N ' ' A' ' 68' ' ' VAL . 33.3 tt0 -153.16 152.81 31.67 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.512 1.132 . . . . 0.0 110.289 179.991 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 68' ' ' VAL . . . . . 0.718 ' O ' HG23 ' A' ' 71' ' ' VAL . 87.6 t -148.67 114.39 0.8 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.529 1.143 . . . . 0.0 109.269 -179.973 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 69' ' ' ASN . . . . . 0.856 ' ND2' HD23 ' A' ' 91' ' ' LEU . 1.5 t-20 57.8 18.05 4.61 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.533 1.146 . . . . 0.0 109.287 179.992 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 99.73 2.67 56.28 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.561 1.163 . . . . 0.0 111.006 179.98 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 71' ' ' VAL . . . . . 0.804 HG21 HG11 ' A' ' 84' ' ' VAL . 48.1 t -77.35 150.02 5.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.501 0.765 . . . . 0.0 109.285 -179.959 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -87.96 88.43 7.65 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.53 1.144 . . . . 0.0 109.317 -179.968 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 73' ' ' PHE . . . . . 0.897 ' CD1' HD12 ' A' ' 76' ' ' LEU . 3.2 m-85 -87.99 38.74 0.86 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.525 1.141 . . . . 0.0 111.013 -179.988 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 12.1 t -75.13 -61.67 1.81 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.452 1.095 . . . . 0.0 110.036 179.985 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 1.2 p30 -121.52 48.54 1.66 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.519 1.137 . . . . 0.0 109.274 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 76' ' ' LEU . . . . . 0.897 HD12 ' CD1' ' A' ' 73' ' ' PHE . 6.5 mt -76.6 -167.04 0.74 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.488 1.118 . . . . 0.0 109.28 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 39.1 t70 -136.73 171.12 14.97 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.524 1.14 . . . . 0.0 109.276 -179.982 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 78' ' ' HIS . . . . . . . . . . . . . 63.3 t-80 -71.91 -7.17 46.97 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.497 1.123 . . . . 0.0 109.566 -179.975 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 18.8 mttt -107.29 -34.93 6.95 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.551 1.157 . . . . 0.0 109.288 179.998 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 80' ' ' GLU . . . . . 0.711 ' CB ' HD22 ' A' ' 76' ' ' LEU . 2.3 mm-40 -80.41 -37.64 31.76 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.501 1.126 . . . . 0.0 110.321 179.99 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 81' ' ' ALA . . . . . 0.601 ' O ' HD12 ' A' ' 85' ' ' LEU . . . -72.99 -28.7 62.53 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.463 1.102 . . . . 0.0 109.321 179.983 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 82' ' ' VAL . . . . . 0.594 HG12 ' HE2' ' A' ' 86' ' ' LYS . 36.1 t -81.46 -40.27 17.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.503 1.127 . . . . 0.0 109.299 -179.975 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 83' ' ' ASN . . . . . 0.431 ' HA ' ' CE ' ' A' ' 86' ' ' LYS . 22.1 t-20 -61.69 -42.89 99.55 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.458 1.099 . . . . 0.0 109.325 179.935 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 84' ' ' VAL . . . . . 0.804 HG11 HG21 ' A' ' 71' ' ' VAL . 66.1 t -71.55 -32.31 45.49 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.499 1.125 . . . . 0.0 109.306 -179.983 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 85' ' ' LEU . . . . . 0.601 HD12 ' O ' ' A' ' 81' ' ' ALA . 24.9 mt -75.14 -34.14 61.61 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.487 1.117 . . . . 0.0 109.279 -179.991 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 86' ' ' LYS . . . . . 0.594 ' HE2' HG12 ' A' ' 82' ' ' VAL . 1.4 ptpt -89.41 -4.19 58.11 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.478 1.112 . . . . 0.0 109.288 -179.959 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 1.5 t -52.75 -66.47 0.38 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.52 1.137 . . . . 0.0 109.973 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 1.1 t -123.54 179.96 4.57 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.502 1.126 . . . . 0.0 109.996 -179.969 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 4.6 mmt180 -81.63 -56.18 4.18 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.52 1.138 . . . . 0.0 110.298 179.965 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 3.6 m -86.02 121.28 28.41 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.52 1.138 . . . . 0.0 109.977 -179.958 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 91' ' ' LEU . . . . . 0.856 HD23 ' ND2' ' A' ' 69' ' ' ASN . 1.2 mt -138.52 146.15 41.6 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.535 1.147 . . . . 0.0 109.321 179.962 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 92' ' ' THR . . . . . 0.585 ' OG1' ' CE2' ' A' ' 20' ' ' PHE . 76.2 m -104.32 101.92 11.62 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.526 1.141 . . . . 0.0 110.398 -179.986 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 93' ' ' ILE . . . . . 0.51 HG23 HG23 ' A' ' 65' ' ' ILE . 13.3 mt -89.95 133.6 31.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.503 1.127 . . . . 0.0 109.277 -179.973 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 94' ' ' SER . . . . . 0.901 ' O ' HG22 ' A' ' 66' ' ' VAL . 0.3 OUTLIER -117.95 104.29 10.76 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.491 1.12 . . . . 0.0 109.98 -179.98 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 95' ' ' ILE . . . . . 0.639 HD13 ' CG ' ' A' ' 63' ' ' ASP . 1.4 pt -104.22 173.86 1.3 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.54 1.15 . . . . 0.0 109.319 179.992 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 96' ' ' VAL . . . . . 0.92 ' HB ' ' HB2' ' A' ' 99' ' ' ALA . 74.3 t -112.45 33.97 0.97 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.48 1.112 . . . . 0.0 109.275 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 97' ' ' ALA . . . . . 0.417 ' O ' ' O ' ' A' ' 96' ' ' VAL . . . 43.41 93.25 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.473 1.108 . . . . 0.0 109.27 179.987 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 98' ' ' ALA . . . . . 0.546 ' CB ' ' NH1' ' A' ' 101' ' ' ARG . . . 51.12 56.65 7.65 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.486 1.116 . . . . 0.0 109.324 -179.979 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 99' ' ' ALA . . . . . 0.92 ' HB2' ' HB ' ' A' ' 96' ' ' VAL . . . -61.63 -67.45 0.41 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.517 1.135 . . . . 0.0 109.3 -179.959 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . -106.65 60.33 0.36 Allowed Glycine 0 CA--C 1.531 1.041 0 O-C-N 124.527 1.142 . . . . 0.0 111.012 179.979 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 101' ' ' ARG . . . . . 0.546 ' NH1' ' CB ' ' A' ' 98' ' ' ALA . 0.0 OUTLIER -70.81 -24.77 62.62 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.513 0.772 . . . . 0.0 110.316 179.983 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -71.4 -5.7 34.68 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.532 1.145 . . . . 0.0 110.261 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 103' ' ' LEU . . . . . 0.559 HD11 ' HD3' ' A' ' 40' ' ' LYS . 30.6 mt -79.16 -17.3 55.21 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.541 1.15 . . . . 0.0 109.322 179.978 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 104' ' ' PHE . . . . . 0.594 ' CZ ' ' O ' ' A' ' 45' ' ' ILE . 52.3 m-85 . . . . . 0 C--N 1.325 -0.465 0 O-C-N 124.451 1.094 . . . . 0.0 111.041 179.973 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 16' ' ' GLU . . . . . 0.401 ' HG3' HG22 ' A' ' 96' ' ' VAL . 17.6 mt-10 . . . . . 0 N--CA 1.453 -0.279 0 N-CA-C 110.29 -0.263 . . . . 0.0 110.29 . . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 17' ' ' LYS . . . . . 0.653 ' HE3' HD11 ' A' ' 95' ' ' ILE . 0.6 OUTLIER -112.29 154.78 25.14 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.537 1.148 . . . . 0.0 109.315 179.962 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -105.27 118.76 37.37 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.495 1.122 . . . . 0.0 109.263 -179.956 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 19' ' ' VAL . . . . . 0.437 HG23 ' O ' ' A' ' 93' ' ' ILE . 0.0 OUTLIER -120.12 124.6 73.0 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.438 1.086 . . . . 0.0 109.254 -179.988 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 20' ' ' PHE . . . . . 0.479 ' CD1' ' O ' ' A' ' 91' ' ' LEU . 0.1 OUTLIER -101.73 112.11 24.59 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.466 1.104 . . . . 0.0 111.045 179.938 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 21' ' ' ILE . . . . . 0.4 HG23 ' HG ' ' A' ' 53' ' ' LEU . 20.2 mm -99.11 121.65 49.95 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.507 1.129 . . . . 0.0 109.348 -179.997 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 22' ' ' SER . . . . . 0.419 ' C ' HD22 ' A' ' 23' ' ' LEU . 12.3 t -110.93 140.75 45.16 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.491 1.12 . . . . 0.0 109.991 -179.983 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.419 HD22 ' C ' ' A' ' 22' ' ' SER . 4.2 mm? . . . . . 0 C--N 1.325 -0.472 0 O-C-N 124.497 1.123 . . . . 0.0 109.27 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.971 0 N-CA-C 111.017 -0.833 . . . . 0.0 111.017 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 28.7 p -121.56 147.4 45.87 Favored 'General case' 0 C--N 1.325 -0.48 0 N-CA-C 108.319 -0.993 . . . . 0.0 108.319 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -111.14 141.35 44.76 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.55 1.156 . . . . 0.0 109.987 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 33' ' ' ILE . . . . . 0.564 HD11 HG23 ' A' ' 82' ' ' VAL . 11.3 pt -109.4 145.24 16.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.453 1.095 . . . . 0.0 109.276 -179.966 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 48.5 m -126.86 152.58 46.83 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.523 1.14 . . . . 0.0 109.999 -179.999 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 11.2 p -80.19 150.24 30.21 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.497 1.123 . . . . 0.0 109.968 -179.977 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -103.21 163.27 15.82 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.54 1.15 . . . . 0.0 110.977 -179.966 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.04 -170.2 0.75 Allowed 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.463 1.77 . . . . 0.0 111.007 179.963 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 5.5 tt -74.04 -29.75 26.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.458 1.099 . . . . 0.0 109.307 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 11.8 pt20 -79.35 -28.66 42.03 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.522 1.139 . . . . 0.0 110.288 179.977 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 40' ' ' LYS . . . . . 0.78 ' HG2' HD11 ' A' ' 103' ' ' LEU . 0.0 OUTLIER -136.41 61.56 38.82 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.541 1.151 . . . . 0.0 109.302 179.984 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 41' ' ' PRO . . . . . 0.475 ' HD3' ' N ' ' A' ' 40' ' ' LYS . 18.3 Cg_endo -75.0 146.64 32.88 Favored 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.479 1.778 . . . . 0.0 111.0 179.988 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 138.83 -164.67 25.74 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.523 1.139 . . . . 0.0 111.017 179.998 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 43' ' ' ILE . . . . . 0.498 ' CG2' HD12 ' A' ' 65' ' ' ILE . 30.3 mm -107.84 125.93 64.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.527 0.78 . . . . 0.0 109.296 179.981 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 44' ' ' PHE . . . . . 0.57 ' CD2' ' HB2' ' A' ' 64' ' ' GLN . 19.4 m-85 -133.55 128.7 35.82 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.523 1.139 . . . . 0.0 111.03 179.956 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 45' ' ' ILE . . . . . 0.58 ' O ' ' CE2' ' A' ' 104' ' ' PHE . 5.1 mt -57.7 151.97 3.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.46 1.1 . . . . 0.0 109.249 -179.982 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 5.4 p -120.49 -40.87 2.63 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.468 1.105 . . . . 0.0 110.042 179.961 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 65.3 t-80 -146.72 157.42 43.69 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.517 1.136 . . . . 0.0 109.556 179.986 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 37.4 t . . . . . 0 C--N 1.325 -0.467 0 O-C-N 124.457 1.098 . . . . 0.0 109.304 179.973 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 52' ' ' SER . . . . . 0.453 ' N ' ' HB3' ' A' ' 55' ' ' ALA . 1.3 p . . . . . 0 N--CA 1.453 -0.278 0 N-CA-C 109.994 -0.373 . . . . 0.0 109.994 . . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 53' ' ' LEU . . . . . 0.502 ' HA ' HD13 ' A' ' 53' ' ' LEU . 0.0 OUTLIER -82.98 -27.08 30.71 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.573 1.171 . . . . 0.0 109.335 179.978 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 54' ' ' SER . . . . . 0.465 ' CB ' ' HB2' ' A' ' 59' ' ' LEU . 0.0 OUTLIER -94.61 -28.86 15.16 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.527 1.142 . . . . 0.0 110.03 179.966 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 55' ' ' ALA . . . . . 0.453 ' HB3' ' N ' ' A' ' 52' ' ' SER . . . -73.82 -10.83 60.07 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.5 1.125 . . . . 0.0 109.294 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 56' ' ' GLU . . . . . 0.553 ' HG3' HG13 ' A' ' 57' ' ' VAL . 2.9 pt-20 -90.59 -34.56 15.44 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.522 1.139 . . . . 0.0 110.286 179.993 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 57' ' ' VAL . . . . . 0.553 HG13 ' HG3' ' A' ' 56' ' ' GLU . 2.2 m -84.79 -23.86 7.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.508 1.13 . . . . 0.0 109.28 -179.988 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 106.71 23.97 6.91 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.501 1.126 . . . . 0.0 111.003 -179.977 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 59' ' ' LEU . . . . . 0.48 HD23 ' OD2' ' A' ' 63' ' ' ASP . 13.5 mt -81.08 137.61 35.99 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.508 0.77 . . . . 0.0 109.325 179.97 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 19.5 mt-10 -140.53 173.07 11.86 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.548 1.155 . . . . 0.0 110.328 179.953 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 67.1 mt -56.4 130.7 19.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.521 1.138 . . . . 0.0 109.302 179.962 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 116.37 -36.53 3.76 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.511 1.132 . . . . 0.0 110.98 180.0 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 63' ' ' ASP . . . . . 0.529 ' CG ' HD13 ' A' ' 95' ' ' ILE . 82.1 m-20 -56.15 98.56 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.484 0.755 . . . . 0.0 109.326 -179.981 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 64' ' ' GLN . . . . . 0.609 ' HB3' ' HB3' ' A' ' 99' ' ' ALA . 4.7 tt0 -83.47 134.48 34.85 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.523 1.14 . . . . 0.0 110.319 -179.986 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 65' ' ' ILE . . . . . 0.764 HG23 HG23 ' A' ' 93' ' ' ILE . 26.6 mt -87.11 110.64 20.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.485 1.116 . . . . 0.0 109.307 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 66' ' ' VAL . . . . . 0.66 HG22 ' O ' ' A' ' 94' ' ' SER . 17.3 m -102.08 -22.19 4.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.493 1.12 . . . . 0.0 109.352 179.947 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 67' ' ' GLU . . . . . 0.415 ' HG2' ' N ' ' A' ' 68' ' ' VAL . 25.0 tt0 -153.05 147.13 25.52 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.519 1.137 . . . . 0.0 110.281 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 68' ' ' VAL . . . . . 0.744 ' O ' HG23 ' A' ' 71' ' ' VAL . 98.5 t -145.73 129.11 10.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.491 1.12 . . . . 0.0 109.285 -179.967 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 69' ' ' ASN . . . . . 0.776 HD22 HD23 ' A' ' 91' ' ' LEU . 1.1 t-20 43.92 31.8 0.54 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.506 1.129 . . . . 0.0 109.32 179.971 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 77.66 41.08 20.64 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.499 1.124 . . . . 0.0 111.039 -179.928 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 71' ' ' VAL . . . . . 0.744 HG23 ' O ' ' A' ' 68' ' ' VAL . 64.2 t -115.46 157.51 16.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.494 0.761 . . . . 0.0 109.308 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 2.0 t0 -91.51 88.69 6.89 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.51 1.131 . . . . 0.0 109.325 179.975 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 73' ' ' PHE . . . . . 0.872 ' CD1' HD12 ' A' ' 76' ' ' LEU . 3.3 m-85 -90.78 21.72 3.95 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.467 1.104 . . . . 0.0 110.96 -179.963 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -74.79 -50.65 16.47 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.535 1.147 . . . . 0.0 109.976 -179.977 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 66.4 m-80 -119.64 50.22 1.28 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.469 1.105 . . . . 0.0 109.293 179.985 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 76' ' ' LEU . . . . . 0.872 HD12 ' CD1' ' A' ' 73' ' ' PHE . 7.0 mt -92.58 -167.43 1.75 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.506 1.129 . . . . 0.0 109.31 179.976 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 28.1 t70 -133.99 170.92 14.92 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.499 1.124 . . . . 0.0 109.339 179.982 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 78' ' ' HIS . . . . . . . . . . . . . 37.9 t-80 -70.61 -7.19 42.27 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.497 1.123 . . . . 0.0 109.566 -179.96 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -107.72 -39.24 5.64 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.498 1.124 . . . . 0.0 109.285 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 80' ' ' GLU . . . . . 0.828 ' O ' HG23 ' A' ' 84' ' ' VAL . 5.1 mt-10 -75.94 -41.02 52.88 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.531 1.144 . . . . 0.0 110.3 179.988 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 81' ' ' ALA . . . . . 0.527 ' HA ' HD13 ' A' ' 76' ' ' LEU . . . -66.07 -24.11 66.66 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.481 1.113 . . . . 0.0 109.342 179.988 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 82' ' ' VAL . . . . . 0.564 HG23 HD11 ' A' ' 33' ' ' ILE . 35.5 t -89.92 -50.33 13.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.526 1.141 . . . . 0.0 109.265 179.974 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 2.0 m-20 -50.01 -41.2 46.71 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.516 1.135 . . . . 0.0 109.267 -179.957 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 84' ' ' VAL . . . . . 0.828 HG23 ' O ' ' A' ' 80' ' ' GLU . 75.4 t -65.92 -25.11 35.36 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.496 1.122 . . . . 0.0 109.294 -179.969 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 85' ' ' LEU . . . . . 0.464 ' N ' ' O ' ' A' ' 82' ' ' VAL . 55.7 mt -80.75 -34.63 34.19 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.542 1.152 . . . . 0.0 109.298 -179.975 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 86' ' ' LYS . . . . . 0.491 ' CE ' ' CG1' ' A' ' 82' ' ' VAL . 4.0 mttm -74.11 -24.93 59.52 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.517 1.136 . . . . 0.0 109.316 179.984 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 87' ' ' SER . . . . . 0.444 ' C ' ' O ' ' A' ' 86' ' ' LYS . 15.1 t -35.3 -70.78 0.08 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.522 1.139 . . . . 0.0 110.01 179.978 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -125.82 -171.58 2.41 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.46 1.1 . . . . 0.0 109.966 -179.956 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 4.2 mmt180 -93.93 -52.53 4.38 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.457 1.098 . . . . 0.0 110.315 -179.998 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -86.65 109.74 19.38 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.435 1.084 . . . . 0.0 109.99 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 91' ' ' LEU . . . . . 0.776 HD23 HD22 ' A' ' 69' ' ' ASN . 1.1 mp -128.53 153.75 46.86 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.489 1.118 . . . . 0.0 109.346 179.965 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 3.3 m -110.28 100.03 8.97 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.501 1.125 . . . . 0.0 110.393 -179.967 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 93' ' ' ILE . . . . . 0.764 HG23 HG23 ' A' ' 65' ' ' ILE . 11.5 mt -89.56 132.17 34.97 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.451 1.094 . . . . 0.0 109.316 179.985 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 94' ' ' SER . . . . . 0.66 ' O ' HG22 ' A' ' 66' ' ' VAL . 0.5 OUTLIER -111.7 101.44 9.81 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.478 1.111 . . . . 0.0 110.001 -179.988 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 95' ' ' ILE . . . . . 0.653 HD11 ' HE3' ' A' ' 17' ' ' LYS . 1.1 pt -100.59 166.68 2.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.573 1.171 . . . . 0.0 109.253 -179.981 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 96' ' ' VAL . . . . . 0.879 ' HB ' ' HB2' ' A' ' 99' ' ' ALA . 74.4 t -108.33 32.85 0.79 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.547 1.154 . . . . 0.0 109.287 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 97' ' ' ALA . . . . . 0.559 ' HB2' ' HE2' ' A' ' 17' ' ' LYS . . . 46.09 94.02 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.512 1.133 . . . . 0.0 109.33 179.962 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 98' ' ' ALA . . . . . 0.603 ' HB1' ' HG3' ' A' ' 101' ' ' ARG . . . 48.42 56.89 6.84 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.491 1.119 . . . . 0.0 109.242 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 99' ' ' ALA . . . . . 0.879 ' HB2' ' HB ' ' A' ' 96' ' ' VAL . . . -60.28 -74.69 0.07 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.488 1.118 . . . . 0.0 109.34 179.939 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . -97.81 55.38 1.18 Allowed Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.497 1.123 . . . . 0.0 111.062 179.949 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 101' ' ' ARG . . . . . 0.603 ' HG3' ' HB1' ' A' ' 98' ' ' ALA . 0.0 OUTLIER -63.82 -42.33 97.69 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.468 0.746 . . . . 0.0 110.279 -179.96 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 7.9 pt-20 -42.44 -35.48 1.05 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.468 1.105 . . . . 0.0 110.283 -179.966 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 103' ' ' LEU . . . . . 0.78 HD11 ' HG2' ' A' ' 40' ' ' LYS . 73.5 mt -46.39 -43.57 16.4 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.53 1.144 . . . . 0.0 109.246 -179.988 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 104' ' ' PHE . . . . . 0.58 ' CE2' ' O ' ' A' ' 45' ' ' ILE . 6.1 m-85 . . . . . 0 C--N 1.324 -0.506 0 O-C-N 124.507 1.129 . . . . 0.0 111.021 179.996 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 16' ' ' GLU . . . . . 0.413 ' HG3' HG22 ' A' ' 96' ' ' VAL . 17.9 mt-10 . . . . . 0 N--CA 1.453 -0.314 0 N-CA-C 110.279 -0.267 . . . . 0.0 110.279 . . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 17' ' ' LYS . . . . . 0.74 ' HE3' HD11 ' A' ' 95' ' ' ILE . 0.6 OUTLIER -118.57 146.73 44.37 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.519 1.137 . . . . 0.0 109.295 179.995 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -94.98 129.83 41.89 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.498 1.124 . . . . 0.0 109.316 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -131.86 118.24 37.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.515 1.134 . . . . 0.0 109.253 -179.943 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -95.83 112.76 24.41 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.516 1.135 . . . . 0.0 111.027 179.974 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 21' ' ' ILE . . . . . 0.538 ' CG1' HD12 ' A' ' 93' ' ' ILE . 33.3 mm -96.68 120.61 46.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.46 1.1 . . . . 0.0 109.289 -179.973 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 22' ' ' SER . . . . . 0.964 ' O ' HD11 ' A' ' 53' ' ' LEU . 6.4 t -112.26 109.01 18.43 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.537 1.148 . . . . 0.0 110.015 179.979 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.521 ' CD2' HG22 ' A' ' 21' ' ' ILE . 3.3 mm? . . . . . 0 C--N 1.325 -0.474 0 O-C-N 124.422 1.076 . . . . 0.0 109.294 -179.993 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.981 0 N-CA-C 111.014 -0.834 . . . . 0.0 111.014 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 26.7 p -111.18 166.79 10.78 Favored 'General case' 0 C--N 1.325 -0.472 0 N-CA-C 108.29 -1.004 . . . . 0.0 108.29 179.983 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -124.81 142.05 51.69 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.508 1.13 . . . . 0.0 110.001 -179.994 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 33' ' ' ILE . . . . . 0.465 HD11 ' CG2' ' A' ' 82' ' ' VAL . 6.6 pt -116.51 149.38 18.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.502 1.126 . . . . 0.0 109.296 179.953 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -137.87 169.64 17.43 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.477 1.111 . . . . 0.0 110.006 179.978 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 78.2 p -93.32 143.38 26.33 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.481 1.113 . . . . 0.0 109.976 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -94.43 165.13 26.01 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.511 1.132 . . . . 0.0 110.994 179.974 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.96 -169.12 0.58 Allowed 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.497 1.788 . . . . 0.0 111.006 179.988 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 0.7 OUTLIER -75.1 -30.29 23.03 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.448 1.093 . . . . 0.0 109.316 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 12.4 pt20 -78.64 -28.92 45.59 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.509 1.131 . . . . 0.0 110.3 -179.985 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 40' ' ' LYS . . . . . 0.473 ' N ' ' HD3' ' A' ' 41' ' ' PRO . 0.0 OUTLIER -136.44 61.76 39.69 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.473 1.108 . . . . 0.0 109.283 -179.992 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 41' ' ' PRO . . . . . 0.473 ' HD3' ' N ' ' A' ' 40' ' ' LYS . 18.2 Cg_endo -75.07 144.97 30.65 Favored 'Trans proline' 0 C--N 1.36 1.132 0 O-C-N 124.489 1.784 . . . . 0.0 110.956 -179.97 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 142.71 -157.62 26.79 Favored Glycine 0 CA--C 1.531 1.044 0 O-C-N 124.517 1.136 . . . . 0.0 110.977 179.972 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 43' ' ' ILE . . . . . 0.411 ' O ' ' N ' ' A' ' 65' ' ' ILE . 20.5 mm -117.08 126.14 74.3 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.506 0.768 . . . . 0.0 109.305 -179.987 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 44' ' ' PHE . . . . . 0.585 ' CD2' ' HB2' ' A' ' 64' ' ' GLN . 2.0 m-85 -133.94 139.17 45.95 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.469 1.105 . . . . 0.0 110.988 -179.977 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 45' ' ' ILE . . . . . 0.426 ' O ' ' CZ ' ' A' ' 104' ' ' PHE . 12.9 mt -67.97 141.69 17.36 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.462 1.101 . . . . 0.0 109.278 179.984 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 46' ' ' SER . . . . . 0.549 ' HA ' ' CE2' ' A' ' 104' ' ' PHE . 1.0 OUTLIER -103.78 -37.13 7.59 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.543 1.152 . . . . 0.0 109.955 -179.998 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 66.5 t-80 -153.99 163.37 40.17 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.487 1.117 . . . . 0.0 109.559 -179.972 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 55.9 t . . . . . 0 C--N 1.326 -0.456 0 O-C-N 124.477 1.111 . . . . 0.0 109.291 179.994 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 30.0 p . . . . . 0 N--CA 1.453 -0.296 0 N-CA-C 109.972 -0.381 . . . . 0.0 109.972 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 53' ' ' LEU . . . . . 0.964 HD11 ' O ' ' A' ' 22' ' ' SER . 0.4 OUTLIER -76.55 -18.13 58.85 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.551 1.157 . . . . 0.0 109.276 -179.952 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 54' ' ' SER . . . . . 0.838 ' O ' HG22 ' A' ' 57' ' ' VAL . 0.1 OUTLIER -95.04 -34.2 12.42 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.55 1.156 . . . . 0.0 109.992 -179.975 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -71.05 -36.74 72.43 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.541 1.151 . . . . 0.0 109.322 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 56' ' ' GLU . . . . . 0.577 ' HG3' HG13 ' A' ' 57' ' ' VAL . 4.7 pt-20 -57.22 -31.92 65.99 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.487 1.117 . . . . 0.0 110.304 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 57' ' ' VAL . . . . . 0.838 HG22 ' O ' ' A' ' 54' ' ' SER . 13.5 m -86.82 -25.71 6.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.476 1.11 . . . . 0.0 109.308 -179.977 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 102.9 41.92 2.2 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.534 1.146 . . . . 0.0 110.979 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 59' ' ' LEU . . . . . 0.503 ' HG ' HG23 ' A' ' 57' ' ' VAL . 25.3 mt -93.12 140.51 29.43 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.515 0.773 . . . . 0.0 109.324 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 13.4 mt-10 -135.38 173.62 11.52 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.496 1.123 . . . . 0.0 110.313 179.979 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 47.9 mt -64.28 126.34 22.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.446 1.091 . . . . 0.0 109.244 -179.964 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 62' ' ' GLY . . . . . 0.4 ' O ' ' N ' ' A' ' 64' ' ' GLN . . . 122.17 -35.48 3.49 Favored Glycine 0 CA--C 1.529 0.959 0 O-C-N 124.528 1.142 . . . . 0.0 111.048 179.995 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 63' ' ' ASP . . . . . 0.563 ' CG ' HD13 ' A' ' 95' ' ' ILE . 75.9 m-20 -49.85 96.33 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.468 0.746 . . . . 0.0 109.282 179.995 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 64' ' ' GLN . . . . . 0.585 ' HB2' ' CD2' ' A' ' 44' ' ' PHE . 40.7 tt0 -83.11 117.34 22.8 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.529 1.143 . . . . 0.0 110.321 179.954 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 65' ' ' ILE . . . . . 0.802 HG23 HG23 ' A' ' 93' ' ' ILE . 42.3 mt -71.05 106.65 1.94 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.5 1.125 . . . . 0.0 109.288 -179.974 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 66' ' ' VAL . . . . . 0.823 HG22 ' O ' ' A' ' 94' ' ' SER . 14.9 m -95.22 -23.34 5.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.482 1.114 . . . . 0.0 109.309 179.95 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 67' ' ' GLU . . . . . 0.424 ' HG2' ' N ' ' A' ' 68' ' ' VAL . 36.3 tt0 -151.83 156.37 40.04 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.521 1.138 . . . . 0.0 110.305 179.948 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 68' ' ' VAL . . . . . 0.745 ' O ' HG23 ' A' ' 71' ' ' VAL . 75.2 t -151.98 120.03 0.76 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.474 1.109 . . . . 0.0 109.328 -179.981 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 69' ' ' ASN . . . . . 0.831 ' ND2' HD23 ' A' ' 91' ' ' LEU . 1.2 t-20 51.78 23.82 2.2 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.453 1.095 . . . . 0.0 109.286 -179.964 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 88.96 21.34 42.82 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.552 1.158 . . . . 0.0 110.952 179.949 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 71' ' ' VAL . . . . . 0.745 HG23 ' O ' ' A' ' 68' ' ' VAL . 63.9 t -94.68 146.13 7.16 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.443 0.731 . . . . 0.0 109.285 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 8.3 t0 -82.48 86.27 6.79 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.511 1.132 . . . . 0.0 109.282 -179.989 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 73' ' ' PHE . . . . . 0.782 ' CD1' HD12 ' A' ' 76' ' ' LEU . 3.4 m-85 -88.65 29.67 0.98 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.461 1.101 . . . . 0.0 110.978 -179.986 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 3.1 t -71.87 -68.81 0.43 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.521 1.138 . . . . 0.0 109.979 -179.984 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 3.5 m-80 -109.95 46.58 1.01 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.522 1.139 . . . . 0.0 109.298 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 76' ' ' LEU . . . . . 0.782 HD12 ' CD1' ' A' ' 73' ' ' PHE . 7.2 mt -79.9 -167.51 1.29 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.462 1.101 . . . . 0.0 109.282 179.995 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 26.3 t0 -135.82 171.4 14.52 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.528 1.142 . . . . 0.0 109.26 -179.982 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 78' ' ' HIS . . . . . . . . . . . . . 64.9 t-80 -71.24 -6.62 41.04 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.487 1.117 . . . . 0.0 109.628 179.985 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 10.1 mmtt -108.0 -36.92 6.21 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.525 1.141 . . . . 0.0 109.283 -179.984 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 80' ' ' GLU . . . . . 0.878 ' O ' HG23 ' A' ' 84' ' ' VAL . 2.2 mt-10 -78.84 -38.17 38.65 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.485 1.116 . . . . 0.0 110.306 179.973 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 81' ' ' ALA . . . . . 0.441 ' HB1' ' CE2' ' A' ' 73' ' ' PHE . . . -70.92 -32.47 69.4 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.466 1.103 . . . . 0.0 109.323 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 82' ' ' VAL . . . . . 0.5 ' O ' ' N ' ' A' ' 85' ' ' LEU . 15.4 t -77.29 -56.62 7.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.465 1.103 . . . . 0.0 109.293 179.991 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 13.6 t30 -45.54 -45.07 13.22 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.504 1.127 . . . . 0.0 109.323 -179.992 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 84' ' ' VAL . . . . . 0.878 HG23 ' O ' ' A' ' 80' ' ' GLU . 75.3 t -59.33 -34.11 53.12 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.513 1.133 . . . . 0.0 109.298 179.966 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 85' ' ' LEU . . . . . 0.5 ' N ' ' O ' ' A' ' 82' ' ' VAL . 49.8 mt -72.8 -37.28 67.59 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.49 1.119 . . . . 0.0 109.294 179.983 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 86' ' ' LYS . . . . . 0.418 ' HG3' ' O ' ' A' ' 82' ' ' VAL . 3.9 mttm -70.2 -25.96 63.66 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.481 1.113 . . . . 0.0 109.277 -179.938 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 87' ' ' SER . . . . . 0.416 ' C ' ' O ' ' A' ' 86' ' ' LYS . 35.6 t -37.02 -69.6 0.11 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.487 1.117 . . . . 0.0 110.005 -179.991 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 88' ' ' SER . . . . . 0.771 ' O ' HD11 ' A' ' 91' ' ' LEU . 0.3 OUTLIER -132.1 175.35 9.31 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.575 1.172 . . . . 0.0 110.023 179.989 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 2.8 mmt85 -81.56 -58.04 3.2 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.467 1.104 . . . . 0.0 110.285 -179.992 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -79.23 112.31 16.32 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.519 1.137 . . . . 0.0 110.006 179.991 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 91' ' ' LEU . . . . . 0.831 HD23 ' ND2' ' A' ' 69' ' ' ASN . 0.9 OUTLIER -133.5 153.01 51.98 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.529 1.143 . . . . 0.0 109.318 179.967 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 6.7 m -107.79 100.53 9.9 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.513 1.133 . . . . 0.0 110.405 -179.991 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 93' ' ' ILE . . . . . 0.802 HG23 HG23 ' A' ' 65' ' ' ILE . 16.9 mt -89.57 134.77 27.82 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.494 1.121 . . . . 0.0 109.264 -179.981 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 94' ' ' SER . . . . . 0.823 ' O ' HG22 ' A' ' 66' ' ' VAL . 0.2 OUTLIER -113.68 100.33 8.4 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.511 1.132 . . . . 0.0 110.014 179.976 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 95' ' ' ILE . . . . . 0.74 HD11 ' HE3' ' A' ' 17' ' ' LYS . 1.1 pt -100.38 169.49 1.66 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.542 1.151 . . . . 0.0 109.276 -179.965 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 96' ' ' VAL . . . . . 0.923 ' HB ' ' HB2' ' A' ' 99' ' ' ALA . 72.2 t -112.84 34.49 0.92 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.509 1.131 . . . . 0.0 109.307 179.991 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 97' ' ' ALA . . . . . 0.557 ' H ' HD12 ' A' ' 95' ' ' ILE . . . 45.53 93.83 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.543 1.152 . . . . 0.0 109.256 179.984 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . 46.47 58.56 4.49 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.488 1.118 . . . . 0.0 109.333 -179.971 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 99' ' ' ALA . . . . . 0.923 ' HB2' ' HB ' ' A' ' 96' ' ' VAL . . . -62.27 -67.3 0.43 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.526 1.141 . . . . 0.0 109.323 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . -107.17 60.23 0.35 Allowed Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.527 1.142 . . . . 0.0 111.021 179.945 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 6.3 ptt-85 -76.76 -17.08 59.27 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.503 0.767 . . . . 0.0 110.301 179.986 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 7.5 pt-20 -71.23 -8.13 51.52 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.517 1.136 . . . . 0.0 110.287 -179.986 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 43.8 mt -73.27 -20.52 60.81 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.466 1.104 . . . . 0.0 109.275 179.988 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 104' ' ' PHE . . . . . 0.549 ' CE2' ' HA ' ' A' ' 46' ' ' SER . 4.8 m-85 . . . . . 0 C--N 1.325 -0.496 0 O-C-N 124.499 1.124 . . . . 0.0 110.997 179.984 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 25.6 mt-10 . . . . . 0 N--CA 1.453 -0.322 0 N-CA-C 110.345 -0.243 . . . . 0.0 110.345 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 17' ' ' LYS . . . . . 1.022 ' CE ' HD11 ' A' ' 95' ' ' ILE . 0.4 OUTLIER -110.81 142.95 42.13 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.519 1.137 . . . . 0.0 109.318 -179.99 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -95.11 133.72 38.62 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.465 1.103 . . . . 0.0 109.287 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 19' ' ' VAL . . . . . 0.752 HG22 ' O ' ' A' ' 93' ' ' ILE . 26.8 m -132.47 159.35 43.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.459 1.099 . . . . 0.0 109.244 -179.966 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 20' ' ' PHE . . . . . 0.501 ' CZ ' ' OG1' ' A' ' 92' ' ' THR . 0.1 OUTLIER -135.69 113.27 10.83 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.537 1.148 . . . . 0.0 110.993 -179.984 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 21' ' ' ILE . . . . . 0.693 HG23 HD23 ' A' ' 53' ' ' LEU . 1.1 mp -95.33 102.53 13.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.464 1.102 . . . . 0.0 109.318 179.982 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 22' ' ' SER . . . . . 0.629 ' O ' HD11 ' A' ' 53' ' ' LEU . 6.2 t -88.26 113.09 23.52 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.468 1.105 . . . . 0.0 109.994 -179.976 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.489 ' HB2' ' CA ' ' A' ' 89' ' ' ARG . 0.2 OUTLIER . . . . . 0 C--N 1.325 -0.493 0 O-C-N 124.542 1.151 . . . . 0.0 109.325 179.976 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.071 0 N-CA-C 111.004 -0.838 . . . . 0.0 111.004 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 31' ' ' CYS . . . . . 0.655 ' HB3' HG22 ' A' ' 48' ' ' VAL . 14.9 p -106.46 142.92 35.34 Favored 'General case' 0 C--N 1.325 -0.49 0 N-CA-C 108.291 -1.003 . . . . 0.0 108.291 179.98 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -91.1 140.78 29.5 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.542 1.151 . . . . 0.0 110.004 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 7.5 pt -116.4 146.25 21.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.507 1.13 . . . . 0.0 109.3 -179.965 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -133.84 169.89 16.4 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.478 1.111 . . . . 0.0 109.967 180.0 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 50.7 p -103.46 131.6 50.43 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.483 1.115 . . . . 0.0 109.967 -179.956 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -75.55 171.29 54.31 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.449 1.093 . . . . 0.0 111.004 179.964 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 -176.24 2.78 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.543 1.812 . . . . 0.0 110.988 -179.969 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 38' ' ' ILE . . . . . 0.403 ' H ' HG22 ' A' ' 38' ' ' ILE . 5.0 tt -69.73 -28.25 36.5 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.468 1.105 . . . . 0.0 109.313 -179.976 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 6.0 pt20 -79.04 -30.55 44.17 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.499 1.125 . . . . 0.0 110.295 179.984 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 40' ' ' LYS . . . . . 0.457 ' N ' ' HD3' ' A' ' 41' ' ' PRO . 21.9 tttp -137.66 62.34 34.81 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.516 1.135 . . . . 0.0 109.307 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 41' ' ' PRO . . . . . 0.457 ' HD3' ' N ' ' A' ' 40' ' ' LYS . 18.2 Cg_endo -75.04 144.38 30.05 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.488 1.783 . . . . 0.0 110.982 -179.947 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 155.91 -160.57 30.12 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.552 1.158 . . . . 0.0 111.032 -179.988 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 43' ' ' ILE . . . . . 0.568 HG22 HD12 ' A' ' 65' ' ' ILE . 8.5 mm -121.19 105.94 17.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.536 0.786 . . . . 0.0 109.298 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 44' ' ' PHE . . . . . 0.638 ' CD2' HD12 ' A' ' 103' ' ' LEU . 3.3 m-85 -117.12 138.43 51.65 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.522 1.139 . . . . 0.0 110.998 -179.981 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 45' ' ' ILE . . . . . 0.431 ' O ' ' CZ ' ' A' ' 104' ' ' PHE . 16.5 mt -68.02 149.21 11.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.528 1.143 . . . . 0.0 109.288 179.977 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 1.4 p -113.91 -37.83 4.39 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.487 1.117 . . . . 0.0 110.003 179.986 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 53.7 t-80 -149.01 163.68 36.81 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.56 1.162 . . . . 0.0 109.603 179.986 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 48' ' ' VAL . . . . . 0.655 HG22 ' HB3' ' A' ' 31' ' ' CYS . 17.2 t . . . . . 0 C--N 1.325 -0.475 0 O-C-N 124.512 1.133 . . . . 0.0 109.31 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 92.2 p . . . . . 0 N--CA 1.453 -0.298 0 N-CA-C 109.999 -0.371 . . . . 0.0 109.999 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 53' ' ' LEU . . . . . 0.693 HD23 HG23 ' A' ' 21' ' ' ILE . 2.8 tp -79.42 -14.45 58.93 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.506 1.129 . . . . 0.0 109.333 179.979 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 54' ' ' SER . . . . . 0.652 ' O ' HG22 ' A' ' 57' ' ' VAL . 0.0 OUTLIER -94.26 -43.78 8.27 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.508 1.13 . . . . 0.0 110.023 179.986 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 55' ' ' ALA . . . . . 0.407 ' O ' ' N ' ' A' ' 58' ' ' GLY . . . -65.11 -46.48 80.83 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.556 1.16 . . . . 0.0 109.291 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 56' ' ' GLU . . . . . 0.613 ' HG3' HG13 ' A' ' 57' ' ' VAL . 11.0 pt-20 -45.95 -36.06 5.18 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.478 1.111 . . . . 0.0 110.272 -179.984 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 57' ' ' VAL . . . . . 0.652 HG22 ' O ' ' A' ' 54' ' ' SER . 33.2 m -90.78 -26.23 5.23 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.514 1.134 . . . . 0.0 109.32 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 58' ' ' GLY . . . . . 0.407 ' N ' ' O ' ' A' ' 55' ' ' ALA . . . 103.78 36.6 3.19 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.457 1.098 . . . . 0.0 111.045 -179.985 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 59' ' ' LEU . . . . . 0.508 ' HG ' HG23 ' A' ' 57' ' ' VAL . 19.3 mt -84.46 141.42 30.81 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.544 0.791 . . . . 0.0 109.284 -179.963 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 32.8 mt-10 -138.91 170.17 16.46 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.549 1.156 . . . . 0.0 110.277 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 68.5 mt -60.23 131.64 25.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.489 1.118 . . . . 0.0 109.282 179.969 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 111.87 -25.33 13.2 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.515 1.134 . . . . 0.0 110.967 179.962 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 63' ' ' ASP . . . . . 0.9 ' CG ' HD13 ' A' ' 95' ' ' ILE . 61.3 m-20 -62.24 97.12 0.08 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.516 0.774 . . . . 0.0 109.266 -179.963 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 64' ' ' GLN . . . . . 0.569 ' HB2' ' CD2' ' A' ' 44' ' ' PHE . 38.0 tt0 -83.2 118.97 23.98 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.51 1.132 . . . . 0.0 110.337 179.957 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 65' ' ' ILE . . . . . 0.73 HG23 HG23 ' A' ' 93' ' ' ILE . 22.8 mt -68.19 107.09 1.15 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.521 1.138 . . . . 0.0 109.276 -179.973 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 66' ' ' VAL . . . . . 0.764 HG22 ' O ' ' A' ' 94' ' ' SER . 17.6 m -98.11 -21.41 5.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.544 1.153 . . . . 0.0 109.308 179.952 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 67' ' ' GLU . . . . . 0.428 ' HG2' ' N ' ' A' ' 68' ' ' VAL . 36.5 tt0 -153.56 153.1 31.75 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.506 1.129 . . . . 0.0 110.269 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 68' ' ' VAL . . . . . 0.598 ' CG2' ' CG2' ' A' ' 65' ' ' ILE . 97.1 t -151.2 111.82 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.468 1.105 . . . . 0.0 109.325 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 69' ' ' ASN . . . . . 0.933 ' ND2' HD23 ' A' ' 91' ' ' LEU . 1.0 OUTLIER 59.75 17.56 6.48 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.478 1.111 . . . . 0.0 109.342 -179.995 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 101.05 -0.5 54.84 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.561 1.163 . . . . 0.0 111.029 -179.981 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 71' ' ' VAL . . . . . 0.586 HG23 ' O ' ' A' ' 68' ' ' VAL . 60.1 t -75.34 154.5 6.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.519 0.776 . . . . 0.0 109.311 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 6.5 t0 -91.18 90.96 8.02 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.526 1.141 . . . . 0.0 109.304 -179.971 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 73' ' ' PHE . . . . . 0.928 ' CD1' HD12 ' A' ' 76' ' ' LEU . 4.2 m-85 -94.28 21.66 6.77 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.443 1.089 . . . . 0.0 111.002 -179.979 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -69.94 -38.52 76.2 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.51 1.131 . . . . 0.0 109.982 179.995 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 28.7 m-20 -139.61 52.53 1.72 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.502 1.126 . . . . 0.0 109.295 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 76' ' ' LEU . . . . . 0.928 HD12 ' CD1' ' A' ' 73' ' ' PHE . 6.1 mt -87.48 -166.12 1.49 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.563 1.165 . . . . 0.0 109.297 -179.966 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 25.1 t70 -132.66 169.52 16.53 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.511 1.132 . . . . 0.0 109.326 179.985 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 78' ' ' HIS . . . . . . . . . . . . . 54.2 t-80 -70.6 -7.13 41.87 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.496 1.122 . . . . 0.0 109.581 -179.959 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 1.3 mtpp -108.71 -36.32 6.19 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.493 1.121 . . . . 0.0 109.3 -179.962 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 80' ' ' GLU . . . . . 0.71 ' CB ' HD22 ' A' ' 76' ' ' LEU . 4.3 mm-40 -79.53 -35.94 39.17 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.484 1.115 . . . . 0.0 110.279 -179.987 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 81' ' ' ALA . . . . . 0.469 ' HA ' HD13 ' A' ' 76' ' ' LEU . . . -73.62 -34.26 64.95 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.518 1.136 . . . . 0.0 109.306 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 82' ' ' VAL . . . . . 0.472 ' O ' ' N ' ' A' ' 85' ' ' LEU . 20.5 t -74.87 -57.75 5.91 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.531 1.144 . . . . 0.0 109.267 -179.958 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 11.1 t30 -48.07 -44.73 31.73 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.501 1.126 . . . . 0.0 109.304 -180.0 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 84' ' ' VAL . . . . . 0.718 HG11 ' HE1' ' A' ' 73' ' ' PHE . 46.9 t -63.27 -27.45 43.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.513 1.133 . . . . 0.0 109.279 -179.98 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 85' ' ' LEU . . . . . 0.574 ' HA ' HD13 ' A' ' 91' ' ' LEU . 36.3 mt -81.95 -34.57 29.73 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.473 1.108 . . . . 0.0 109.3 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 86' ' ' LYS . . . . . 0.463 ' O ' ' C ' ' A' ' 87' ' ' SER . 0.0 OUTLIER -78.64 -34.03 46.81 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.457 1.098 . . . . 0.0 109.318 179.997 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 87' ' ' SER . . . . . 0.463 ' C ' ' O ' ' A' ' 86' ' ' LYS . 34.1 t -34.77 -68.66 0.11 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.519 1.137 . . . . 0.0 109.972 -179.971 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 88' ' ' SER . . . . . 0.607 ' O ' HD11 ' A' ' 91' ' ' LEU . 0.3 OUTLIER -115.6 165.4 13.06 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.48 1.112 . . . . 0.0 109.999 -179.987 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 89' ' ' ARG . . . . . 0.489 ' CA ' ' HB2' ' A' ' 23' ' ' LEU . 0.6 OUTLIER -79.27 -64.44 1.19 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.416 1.073 . . . . 0.0 110.351 179.954 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -80.34 112.58 17.81 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.523 1.139 . . . . 0.0 109.976 179.984 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 91' ' ' LEU . . . . . 0.933 HD23 ' ND2' ' A' ' 69' ' ' ASN . 1.4 mt -129.93 144.33 51.27 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.492 1.12 . . . . 0.0 109.267 179.953 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 92' ' ' THR . . . . . 0.501 ' OG1' ' CZ ' ' A' ' 20' ' ' PHE . 33.6 m -100.25 101.66 12.73 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.495 1.122 . . . . 0.0 110.426 179.973 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 93' ' ' ILE . . . . . 0.752 ' O ' HG22 ' A' ' 19' ' ' VAL . 25.8 mt -89.3 141.26 14.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.457 1.098 . . . . 0.0 109.299 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 94' ' ' SER . . . . . 0.764 ' O ' HG22 ' A' ' 66' ' ' VAL . 0.3 OUTLIER -122.96 109.86 14.65 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.482 1.114 . . . . 0.0 110.011 -179.971 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 95' ' ' ILE . . . . . 1.022 HD11 ' CE ' ' A' ' 17' ' ' LYS . 1.1 pt -108.74 170.42 2.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.466 1.104 . . . . 0.0 109.339 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 96' ' ' VAL . . . . . 0.808 ' HB ' ' HB2' ' A' ' 99' ' ' ALA . 84.2 t -107.16 31.17 0.89 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.509 1.131 . . . . 0.0 109.243 -179.982 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 97' ' ' ALA . . . . . 0.607 ' H ' HD12 ' A' ' 95' ' ' ILE . . . 44.19 92.99 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.505 1.128 . . . . 0.0 109.277 179.95 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 98' ' ' ALA . . . . . 0.654 ' HB1' ' HG3' ' A' ' 101' ' ' ARG . . . 55.96 52.9 9.88 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.57 1.169 . . . . 0.0 109.285 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 99' ' ' ALA . . . . . 0.808 ' HB2' ' HB ' ' A' ' 96' ' ' VAL . . . -58.25 -71.59 0.11 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.508 1.13 . . . . 0.0 109.305 179.976 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . -103.5 57.53 0.55 Allowed Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.532 1.145 . . . . 0.0 111.005 -179.997 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 101' ' ' ARG . . . . . 0.654 ' HG3' ' HB1' ' A' ' 98' ' ' ALA . 0.0 OUTLIER -63.78 -29.15 70.39 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.481 0.754 . . . . 0.0 110.266 -179.976 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 1.3 pt-20 -62.27 -20.47 64.31 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.503 1.127 . . . . 0.0 110.325 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 103' ' ' LEU . . . . . 0.638 HD12 ' CD2' ' A' ' 44' ' ' PHE . 32.4 mt -66.7 -16.51 64.28 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.497 1.123 . . . . 0.0 109.317 179.976 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 104' ' ' PHE . . . . . 0.431 ' CZ ' ' O ' ' A' ' 45' ' ' ILE . 14.9 m-85 . . . . . 0 C--N 1.325 -0.493 0 O-C-N 124.505 1.128 . . . . 0.0 110.983 179.989 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 16' ' ' GLU . . . . . 0.453 ' HG3' HG22 ' A' ' 96' ' ' VAL . 14.3 mt-10 . . . . . 0 N--CA 1.453 -0.304 0 N-CA-C 110.265 -0.272 . . . . 0.0 110.265 . . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -109.17 141.3 41.6 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.495 1.122 . . . . 0.0 109.323 179.941 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 18' ' ' LYS . . . . . 0.646 ' HD3' HG23 ' A' ' 92' ' ' THR . 1.4 ttmm -97.24 112.25 24.14 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.533 1.146 . . . . 0.0 109.267 -179.986 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 19' ' ' VAL . . . . . 0.493 HG21 HD21 ' A' ' 59' ' ' LEU . 0.2 OUTLIER -115.22 116.68 53.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.475 1.109 . . . . 0.0 109.293 179.99 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 20' ' ' PHE . . . . . 0.594 ' CD1' ' O ' ' A' ' 91' ' ' LEU . 0.3 OUTLIER -94.56 117.65 30.45 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.503 1.127 . . . . 0.0 110.981 -179.998 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 21' ' ' ILE . . . . . 0.566 ' CG1' HD12 ' A' ' 93' ' ' ILE . 27.9 mm -95.06 102.06 13.17 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.468 1.105 . . . . 0.0 109.358 179.949 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 68.5 m -89.79 112.54 23.88 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.486 1.116 . . . . 0.0 109.948 -179.947 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.469 ' HB2' ' CA ' ' A' ' 89' ' ' ARG . 0.1 OUTLIER . . . . . 0 C--N 1.325 -0.496 0 O-C-N 124.49 1.119 . . . . 0.0 109.288 179.976 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.995 0 N-CA-C 111.024 -0.831 . . . . 0.0 111.024 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 27.7 p -136.58 143.79 43.8 Favored 'General case' 0 C--N 1.325 -0.483 0 N-CA-C 108.295 -1.002 . . . . 0.0 108.295 179.994 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -89.41 138.74 31.18 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.538 1.149 . . . . 0.0 110.025 179.994 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 33' ' ' ILE . . . . . 0.491 HD11 ' CG2' ' A' ' 82' ' ' VAL . 14.3 pt -119.01 143.04 31.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.475 1.11 . . . . 0.0 109.341 -179.997 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -136.31 168.97 18.41 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.499 1.124 . . . . 0.0 110.036 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -100.49 152.12 20.76 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.572 1.17 . . . . 0.0 110.002 -179.966 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -94.16 175.54 35.02 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.512 1.133 . . . . 0.0 111.003 179.988 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 -172.0 1.13 Allowed 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.5 1.79 . . . . 0.0 111.021 179.978 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 0.7 OUTLIER -72.92 -30.13 31.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.457 1.098 . . . . 0.0 109.3 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 7.6 pt20 -77.6 -30.75 52.59 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.498 1.124 . . . . 0.0 110.334 179.965 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 40' ' ' LYS . . . . . 0.646 ' HG2' HD11 ' A' ' 103' ' ' LEU . 2.5 tttt -136.6 61.86 39.24 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.543 1.152 . . . . 0.0 109.266 180.0 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 41' ' ' PRO . . . . . 0.465 ' HD3' ' N ' ' A' ' 40' ' ' LYS . 18.1 Cg_endo -75.04 145.98 31.96 Favored 'Trans proline' 0 C--N 1.361 1.191 0 O-C-N 124.517 1.798 . . . . 0.0 111.008 179.986 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 152.39 -157.93 27.55 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.5 1.125 . . . . 0.0 110.996 -179.982 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 43' ' ' ILE . . . . . 0.526 HG22 HD12 ' A' ' 65' ' ' ILE . 7.9 mm -121.88 117.8 53.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.497 0.763 . . . . 0.0 109.301 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 44' ' ' PHE . . . . . 0.565 ' CD2' ' HB2' ' A' ' 64' ' ' GLN . 2.2 m-85 -127.89 140.86 51.76 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.479 1.112 . . . . 0.0 110.989 -179.95 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 45' ' ' ILE . . . . . 0.548 ' O ' ' CZ ' ' A' ' 104' ' ' PHE . 8.9 mt -66.93 152.55 9.53 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.472 1.107 . . . . 0.0 109.302 179.969 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -117.59 -38.64 3.26 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.442 1.089 . . . . 0.0 110.002 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 44.3 t-80 -151.66 159.82 43.87 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.427 1.079 . . . . 0.0 109.563 -179.971 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 65.2 t . . . . . 0 C--N 1.325 -0.48 0 O-C-N 124.522 1.139 . . . . 0.0 109.273 -179.974 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 28.5 p . . . . . 0 N--CA 1.453 -0.294 0 N-CA-C 109.973 -0.38 . . . . 0.0 109.973 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 53' ' ' LEU . . . . . 0.47 HD12 ' CD ' ' A' ' 56' ' ' GLU . 19.0 tp -79.43 -13.71 59.41 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.503 1.127 . . . . 0.0 109.319 179.976 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 54' ' ' SER . . . . . 0.894 ' O ' HG22 ' A' ' 57' ' ' VAL . 0.0 OUTLIER -95.75 -42.13 8.51 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.574 1.172 . . . . 0.0 110.027 179.99 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 55' ' ' ALA . . . . . 0.434 ' O ' ' N ' ' A' ' 58' ' ' GLY . . . -65.22 -43.06 92.7 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.495 1.122 . . . . 0.0 109.33 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 56' ' ' GLU . . . . . 0.649 ' HG3' HG13 ' A' ' 57' ' ' VAL . 7.0 pt-20 -46.79 -35.33 6.12 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.474 1.109 . . . . 0.0 110.327 179.967 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 57' ' ' VAL . . . . . 0.894 HG22 ' O ' ' A' ' 54' ' ' SER . 7.2 m -88.38 -26.1 5.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.519 1.137 . . . . 0.0 109.307 179.976 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 58' ' ' GLY . . . . . 0.434 ' N ' ' O ' ' A' ' 55' ' ' ALA . . . 106.84 38.6 2.16 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.457 1.098 . . . . 0.0 110.969 179.989 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 59' ' ' LEU . . . . . 0.493 HD21 HG21 ' A' ' 19' ' ' VAL . 17.8 mt -87.85 137.34 32.42 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.493 0.761 . . . . 0.0 109.313 179.958 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -136.9 173.2 11.95 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.518 1.136 . . . . 0.0 110.292 179.969 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 21.3 mt -62.44 134.92 27.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.516 1.135 . . . . 0.0 109.333 179.988 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 109.74 -34.89 5.2 Favored Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.498 1.124 . . . . 0.0 111.042 -179.937 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 63' ' ' ASP . . . . . 0.561 ' HB3' HD13 ' A' ' 95' ' ' ILE . 52.7 m-20 -50.8 96.71 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.482 0.754 . . . . 0.0 109.286 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 64' ' ' GLN . . . . . 0.565 ' HB2' ' CD2' ' A' ' 44' ' ' PHE . 42.3 tt0 -83.02 130.23 35.12 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.496 1.122 . . . . 0.0 110.311 179.978 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 65' ' ' ILE . . . . . 0.604 ' CG2' ' CG2' ' A' ' 68' ' ' VAL . 5.5 mt -82.28 108.16 14.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.493 1.121 . . . . 0.0 109.293 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 66' ' ' VAL . . . . . 0.925 HG22 ' O ' ' A' ' 94' ' ' SER . 14.4 m -97.16 -21.91 5.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.489 1.118 . . . . 0.0 109.283 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 67' ' ' GLU . . . . . 0.433 ' HG2' ' N ' ' A' ' 68' ' ' VAL . 42.0 tt0 -153.96 152.49 30.62 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.479 1.112 . . . . 0.0 110.3 179.998 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 68' ' ' VAL . . . . . 0.758 ' O ' HG23 ' A' ' 71' ' ' VAL . 59.8 t -148.89 120.92 1.42 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.493 1.121 . . . . 0.0 109.327 179.979 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 69' ' ' ASN . . . . . 0.419 ' ND2' HD23 ' A' ' 91' ' ' LEU . 1.1 t-20 49.26 27.23 1.79 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.448 1.093 . . . . 0.0 109.294 -179.988 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 84.94 27.09 35.3 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.484 1.115 . . . . 0.0 111.039 179.998 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 71' ' ' VAL . . . . . 0.758 HG23 ' O ' ' A' ' 68' ' ' VAL . 60.5 t -102.69 154.22 5.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.492 0.76 . . . . 0.0 109.317 -179.982 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 2.6 t0 -85.95 89.52 7.81 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.496 1.122 . . . . 0.0 109.292 -179.943 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 73' ' ' PHE . . . . . 0.957 ' CD1' HD12 ' A' ' 76' ' ' LEU . 4.3 m-85 -97.62 23.77 7.43 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.489 1.118 . . . . 0.0 110.997 -179.95 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -76.82 -27.17 55.07 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.555 1.159 . . . . 0.0 110.037 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 58.1 m-80 -147.54 49.58 1.08 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.487 1.117 . . . . 0.0 109.32 -179.965 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 76' ' ' LEU . . . . . 0.957 HD12 ' CD1' ' A' ' 73' ' ' PHE . 6.3 mt -88.17 -166.92 1.72 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.488 1.117 . . . . 0.0 109.298 -179.975 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 34.5 t70 -132.93 170.24 15.62 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.495 1.122 . . . . 0.0 109.303 179.985 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 78' ' ' HIS . . . . . . . . . . . . . 61.1 t-80 -70.76 -6.91 41.09 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.458 1.099 . . . . 0.0 109.627 179.973 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -108.52 -39.18 5.48 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.522 1.139 . . . . 0.0 109.294 -179.968 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 80' ' ' GLU . . . . . 0.709 ' CB ' HD22 ' A' ' 76' ' ' LEU . 1.8 mt-10 -75.52 -36.83 60.45 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.463 1.102 . . . . 0.0 110.336 179.994 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 81' ' ' ALA . . . . . 0.442 ' HA ' HD13 ' A' ' 76' ' ' LEU . . . -72.03 -41.23 67.74 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.546 1.154 . . . . 0.0 109.281 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 82' ' ' VAL . . . . . 0.565 HG12 ' HD2' ' A' ' 86' ' ' LYS . 41.9 t -69.44 -40.08 79.44 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.521 1.138 . . . . 0.0 109.287 -179.966 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 83' ' ' ASN . . . . . 0.458 ' HA ' ' CD ' ' A' ' 86' ' ' LYS . 9.5 t30 -60.15 -49.74 76.44 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.535 1.147 . . . . 0.0 109.306 -179.985 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 84' ' ' VAL . . . . . 0.694 HG11 HG21 ' A' ' 71' ' ' VAL . 64.3 t -67.78 -21.08 26.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.48 1.113 . . . . 0.0 109.319 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 32.9 mt -87.16 -26.57 23.52 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.493 1.121 . . . . 0.0 109.296 -179.994 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 86' ' ' LYS . . . . . 0.565 ' HD2' HG12 ' A' ' 82' ' ' VAL . 0.0 OUTLIER -102.38 -1.01 31.72 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.521 1.138 . . . . 0.0 109.343 179.964 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 87' ' ' SER . . . . . 0.452 ' N ' ' O ' ' A' ' 83' ' ' ASN . 19.5 m -84.0 7.42 18.52 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.474 1.109 . . . . 0.0 109.977 179.988 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -177.44 163.48 1.99 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.498 1.124 . . . . 0.0 110.002 -179.945 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 89' ' ' ARG . . . . . 0.469 ' CA ' ' HB2' ' A' ' 23' ' ' LEU . 18.8 mmt85 -89.05 -65.91 0.97 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.493 1.121 . . . . 0.0 110.316 179.983 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -80.75 108.14 14.16 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.518 1.136 . . . . 0.0 109.95 -179.982 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 91' ' ' LEU . . . . . 0.594 ' O ' ' CD1' ' A' ' 20' ' ' PHE . 0.9 OUTLIER -122.15 160.12 25.78 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.475 1.109 . . . . 0.0 109.313 179.99 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 92' ' ' THR . . . . . 0.646 HG23 ' HD3' ' A' ' 18' ' ' LYS . 31.1 m -115.64 98.54 6.76 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.507 1.129 . . . . 0.0 110.415 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 93' ' ' ILE . . . . . 0.566 HD12 ' CG1' ' A' ' 21' ' ' ILE . 15.6 mt -87.89 133.94 29.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.474 1.109 . . . . 0.0 109.33 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 94' ' ' SER . . . . . 0.925 ' O ' HG22 ' A' ' 66' ' ' VAL . 0.3 OUTLIER -118.71 96.57 5.33 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.498 1.124 . . . . 0.0 110.026 179.991 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 95' ' ' ILE . . . . . 0.561 HD13 ' HB3' ' A' ' 63' ' ' ASP . 1.7 pt -99.7 169.38 1.63 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.493 1.12 . . . . 0.0 109.305 179.983 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 96' ' ' VAL . . . . . 0.775 ' HB ' ' HB2' ' A' ' 99' ' ' ALA . 74.7 t -107.57 31.32 0.91 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.542 1.151 . . . . 0.0 109.314 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 97' ' ' ALA . . . . . 0.408 ' O ' ' O ' ' A' ' 96' ' ' VAL . . . 46.73 95.03 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.506 1.129 . . . . 0.0 109.316 179.994 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 98' ' ' ALA . . . . . 0.52 ' HB1' ' HG3' ' A' ' 101' ' ' ARG . . . 51.49 55.1 9.91 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.463 1.102 . . . . 0.0 109.295 179.989 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 99' ' ' ALA . . . . . 0.775 ' HB2' ' HB ' ' A' ' 96' ' ' VAL . . . -60.76 -70.55 0.17 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.472 1.108 . . . . 0.0 109.271 -179.979 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . -101.43 58.45 0.65 Allowed Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.483 1.114 . . . . 0.0 110.988 -179.981 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 101' ' ' ARG . . . . . 0.52 ' HG3' ' HB1' ' A' ' 98' ' ' ALA . 0.0 OUTLIER -70.35 -25.22 63.18 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.481 0.754 . . . . 0.0 110.314 179.983 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 8.9 pt-20 -70.71 -36.42 73.22 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.532 1.145 . . . . 0.0 110.343 179.986 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 103' ' ' LEU . . . . . 0.646 HD11 ' HG2' ' A' ' 40' ' ' LYS . 47.3 mt -40.36 -46.3 2.33 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.529 1.143 . . . . 0.0 109.337 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 104' ' ' PHE . . . . . 0.548 ' CZ ' ' O ' ' A' ' 45' ' ' ILE . 27.6 m-85 . . . . . 0 C--N 1.325 -0.473 0 O-C-N 124.51 1.131 . . . . 0.0 110.998 179.981 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 16' ' ' GLU . . . . . 0.447 ' HG2' HG22 ' A' ' 96' ' ' VAL . 0.8 OUTLIER . . . . . 0 N--CA 1.453 -0.284 0 N-CA-C 110.325 -0.25 . . . . 0.0 110.325 . . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 17' ' ' LYS . . . . . 0.591 ' CE ' HD11 ' A' ' 95' ' ' ILE . 0.1 OUTLIER -138.54 140.12 38.96 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.526 1.141 . . . . 0.0 109.325 -179.988 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 18' ' ' LYS . . . . . 0.445 ' CG ' HG23 ' A' ' 92' ' ' THR . 1.0 OUTLIER -96.37 117.52 31.01 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.457 1.098 . . . . 0.0 109.285 179.995 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 19' ' ' VAL . . . . . 0.487 HG23 ' HB ' ' A' ' 93' ' ' ILE . 0.3 OUTLIER -118.87 116.89 52.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.54 1.15 . . . . 0.0 109.284 179.997 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -94.93 108.44 20.49 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.521 1.138 . . . . 0.0 111.023 179.974 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 21' ' ' ILE . . . . . 0.401 ' O ' ' O ' ' A' ' 89' ' ' ARG . 24.1 mm -95.27 112.18 27.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.516 1.135 . . . . 0.0 109.262 -179.967 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 22' ' ' SER . . . . . 0.598 ' O ' HD21 ' A' ' 53' ' ' LEU . 8.3 p -111.55 122.24 47.3 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.519 1.137 . . . . 0.0 109.972 179.995 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 3.8 mp . . . . . 0 C--N 1.326 -0.453 0 O-C-N 124.525 1.141 . . . . 0.0 109.258 -180.0 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.006 0 N-CA-C 111.013 -0.835 . . . . 0.0 111.013 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 13.0 p -117.51 139.52 50.82 Favored 'General case' 0 C--N 1.324 -0.506 0 N-CA-C 108.298 -1.001 . . . . 0.0 108.298 -179.977 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -94.61 139.66 30.9 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.546 1.154 . . . . 0.0 110.043 180.0 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 33' ' ' ILE . . . . . 0.745 HD11 ' CG2' ' A' ' 82' ' ' VAL . 6.3 pt -115.65 147.92 18.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.477 1.111 . . . . 0.0 109.298 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -136.52 170.07 16.65 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.471 1.107 . . . . 0.0 110.031 179.978 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 79.2 p -97.59 135.39 39.48 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.45 1.094 . . . . 0.0 109.986 -179.997 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -81.57 168.43 49.77 Favored Glycine 0 CA--C 1.531 1.049 0 O-C-N 124.494 1.121 . . . . 0.0 110.972 -179.966 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 -169.52 0.64 Allowed 'Trans proline' 0 C--N 1.359 1.128 0 O-C-N 124.565 1.824 . . . . 0.0 110.989 -179.985 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 5.4 tt -75.62 -29.99 21.27 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.504 1.128 . . . . 0.0 109.275 -179.992 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 1.9 pt20 -78.8 -27.71 44.46 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.448 1.092 . . . . 0.0 110.317 179.995 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 40' ' ' LYS . . . . . 0.886 ' HG2' HD11 ' A' ' 103' ' ' LEU . 0.0 OUTLIER -137.73 62.16 33.49 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.521 1.138 . . . . 0.0 109.322 -179.983 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 41' ' ' PRO . . . . . 0.461 ' HD3' ' N ' ' A' ' 40' ' ' LYS . 18.3 Cg_endo -74.99 145.35 31.39 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.499 1.789 . . . . 0.0 111.026 179.992 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 145.18 -158.83 27.76 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.468 1.105 . . . . 0.0 111.004 -179.999 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 27.0 mm -117.61 117.9 56.63 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.542 0.789 . . . . 0.0 109.289 179.975 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 44' ' ' PHE . . . . . 0.574 ' CD2' ' HB2' ' A' ' 64' ' ' GLN . 2.9 m-85 -128.76 135.04 48.65 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.548 1.155 . . . . 0.0 110.996 -179.988 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 45' ' ' ILE . . . . . 0.421 ' O ' ' CZ ' ' A' ' 104' ' ' PHE . 13.8 mt -62.87 138.18 23.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.527 1.142 . . . . 0.0 109.265 -179.949 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 51.1 p -104.77 -36.28 7.47 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.509 1.131 . . . . 0.0 110.005 -179.969 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 63.2 t-80 -150.67 163.17 39.19 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.539 1.149 . . . . 0.0 109.6 -179.988 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 77.4 t . . . . . 0 C--N 1.324 -0.508 0 O-C-N 124.479 1.112 . . . . 0.0 109.313 -179.989 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 9.4 p . . . . . 0 N--CA 1.453 -0.294 0 N-CA-C 109.982 -0.377 . . . . 0.0 109.982 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 53' ' ' LEU . . . . . 0.598 HD21 ' O ' ' A' ' 22' ' ' SER . 12.4 tp -73.51 -19.59 60.88 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.552 1.157 . . . . 0.0 109.364 179.968 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 54' ' ' SER . . . . . 0.801 ' O ' HG22 ' A' ' 57' ' ' VAL . 0.0 OUTLIER -95.7 -36.3 11.25 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.513 1.133 . . . . 0.0 109.991 -179.999 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -68.07 -33.23 74.15 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.479 1.112 . . . . 0.0 109.286 179.997 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 56' ' ' GLU . . . . . 0.564 ' CD ' HD12 ' A' ' 53' ' ' LEU . 4.6 pt-20 -61.73 -35.0 76.81 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.494 1.121 . . . . 0.0 110.309 -179.975 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 57' ' ' VAL . . . . . 0.801 HG22 ' O ' ' A' ' 54' ' ' SER . 17.8 m -83.37 -21.35 8.86 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.501 1.126 . . . . 0.0 109.312 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 100.58 36.79 3.93 Favored Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.536 1.148 . . . . 0.0 110.995 179.997 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 59' ' ' LEU . . . . . 0.539 ' HG ' HG23 ' A' ' 57' ' ' VAL . 19.7 mt -89.67 138.5 31.42 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.46 0.741 . . . . 0.0 109.265 -179.975 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 35.8 mt-10 -139.06 173.26 11.74 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.507 1.129 . . . . 0.0 110.338 179.977 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 44.2 mt -60.07 134.98 25.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.461 1.101 . . . . 0.0 109.303 -179.974 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 62' ' ' GLY . . . . . 0.464 ' HA3' ' CG ' ' A' ' 101' ' ' ARG . . . 112.6 -34.69 5.01 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.489 1.118 . . . . 0.0 111.029 -179.949 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 63' ' ' ASP . . . . . 0.599 ' HB3' HD13 ' A' ' 95' ' ' ILE . 85.2 m-20 -56.32 97.29 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.529 0.782 . . . . 0.0 109.303 179.981 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 64' ' ' GLN . . . . . 0.656 ' HB3' ' HB3' ' A' ' 99' ' ' ALA . 42.8 tt0 -83.28 131.9 35.06 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.505 1.128 . . . . 0.0 110.276 -179.995 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 65' ' ' ILE . . . . . 0.753 HG23 HG23 ' A' ' 93' ' ' ILE . 35.5 mt -85.52 111.28 20.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.518 1.136 . . . . 0.0 109.297 179.998 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 66' ' ' VAL . . . . . 0.678 HG22 ' O ' ' A' ' 94' ' ' SER . 15.4 m -99.61 -24.12 4.25 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.511 1.132 . . . . 0.0 109.312 179.976 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 67' ' ' GLU . . . . . 0.431 ' HA ' ' O ' ' A' ' 71' ' ' VAL . 29.0 tt0 -150.58 154.09 36.92 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.54 1.15 . . . . 0.0 110.294 179.985 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 68' ' ' VAL . . . . . 0.596 ' HB ' ' CE1' ' A' ' 73' ' ' PHE . 94.2 t -152.67 116.12 0.51 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.472 1.107 . . . . 0.0 109.321 -179.993 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 69' ' ' ASN . . . . . 0.896 ' ND2' HD23 ' A' ' 91' ' ' LEU . 1.0 OUTLIER 55.26 19.64 3.06 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.461 1.101 . . . . 0.0 109.275 -179.997 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 93.58 14.54 52.92 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.557 1.161 . . . . 0.0 110.983 179.929 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 71' ' ' VAL . . . . . 0.495 HG23 ' O ' ' A' ' 68' ' ' VAL . 90.3 t -91.84 141.07 15.06 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.475 0.75 . . . . 0.0 109.265 -179.954 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 1.1 t70 -76.13 86.3 2.99 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.509 1.131 . . . . 0.0 109.325 179.982 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 73' ' ' PHE . . . . . 0.734 ' CG ' HD12 ' A' ' 76' ' ' LEU . 3.7 m-85 -90.53 19.53 5.24 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.538 1.149 . . . . 0.0 111.003 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -74.03 -56.76 4.54 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.526 1.141 . . . . 0.0 109.951 -179.952 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 1.4 p-10 -114.13 45.99 1.41 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.464 1.103 . . . . 0.0 109.309 180.0 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 76' ' ' LEU . . . . . 0.8 HD22 ' HB2' ' A' ' 80' ' ' GLU . 4.5 mt -84.01 -165.49 1.15 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.529 1.143 . . . . 0.0 109.31 179.995 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 77' ' ' ASP . . . . . 0.403 ' OD2' ' N ' ' A' ' 79' ' ' LYS . 26.4 t70 -132.29 169.12 16.92 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.538 1.149 . . . . 0.0 109.255 -179.957 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 78' ' ' HIS . . . . . . . . . . . . . 51.4 t-80 -73.46 -7.43 51.73 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.536 1.148 . . . . 0.0 109.577 -179.963 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 79' ' ' LYS . . . . . 0.403 ' N ' ' OD2' ' A' ' 77' ' ' ASP . 9.6 mttm -109.38 -28.54 8.9 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.475 1.11 . . . . 0.0 109.308 179.978 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 80' ' ' GLU . . . . . 0.8 ' HB2' HD22 ' A' ' 76' ' ' LEU . 3.2 mm-40 -86.0 -36.01 20.03 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.478 1.111 . . . . 0.0 110.254 -179.98 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 81' ' ' ALA . . . . . 0.606 ' O ' HD12 ' A' ' 85' ' ' LEU . . . -73.8 -20.16 60.55 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.499 1.124 . . . . 0.0 109.32 -179.972 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 82' ' ' VAL . . . . . 0.745 ' CG2' HD11 ' A' ' 33' ' ' ILE . 3.7 t -91.06 -39.1 11.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.488 1.118 . . . . 0.0 109.266 -179.976 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 83' ' ' ASN . . . . . 0.452 ' HA ' ' CD ' ' A' ' 86' ' ' LYS . 1.7 m-20 -61.18 -41.75 97.35 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.52 1.137 . . . . 0.0 109.337 179.965 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 84' ' ' VAL . . . . . 0.457 HG11 ' HE1' ' A' ' 73' ' ' PHE . 72.4 t -73.86 -33.8 38.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.516 1.135 . . . . 0.0 109.29 -179.951 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 85' ' ' LEU . . . . . 0.606 HD12 ' O ' ' A' ' 81' ' ' ALA . 24.7 mt -74.26 -30.34 62.08 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.503 1.127 . . . . 0.0 109.308 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 86' ' ' LYS . . . . . 0.525 ' HD2' HG12 ' A' ' 82' ' ' VAL . 0.0 OUTLIER -97.92 -1.34 43.11 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.441 1.088 . . . . 0.0 109.257 -179.982 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 34.2 t -63.74 -62.29 1.75 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.537 1.148 . . . . 0.0 110.012 -179.992 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 88' ' ' SER . . . . . 0.558 ' O ' HD11 ' A' ' 91' ' ' LEU . 0.3 OUTLIER -120.79 178.34 4.74 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.518 1.136 . . . . 0.0 109.977 -179.974 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 89' ' ' ARG . . . . . 0.401 ' O ' ' O ' ' A' ' 21' ' ' ILE . 4.6 mmt180 -91.41 -58.17 2.53 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.487 1.117 . . . . 0.0 110.29 -179.972 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -81.48 109.75 16.24 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.549 1.156 . . . . 0.0 109.979 -179.971 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 91' ' ' LEU . . . . . 0.896 HD23 ' ND2' ' A' ' 69' ' ' ASN . 1.1 mt -137.26 143.59 42.29 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.517 1.136 . . . . 0.0 109.3 179.987 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 92' ' ' THR . . . . . 0.445 HG23 ' CG ' ' A' ' 18' ' ' LYS . 4.2 m -101.93 102.74 13.33 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.482 1.114 . . . . 0.0 110.435 179.966 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 93' ' ' ILE . . . . . 0.753 HG23 HG23 ' A' ' 65' ' ' ILE . 17.3 mt -89.2 135.14 26.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.514 1.134 . . . . 0.0 109.283 -179.981 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 94' ' ' SER . . . . . 0.678 ' O ' HG22 ' A' ' 66' ' ' VAL . 0.5 OUTLIER -117.0 106.13 13.07 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.542 1.152 . . . . 0.0 109.961 179.999 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 95' ' ' ILE . . . . . 0.599 HD13 ' HB3' ' A' ' 63' ' ' ASP . 2.2 pt -104.12 176.01 1.01 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.54 1.15 . . . . 0.0 109.308 179.966 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 96' ' ' VAL . . . . . 0.845 ' HB ' ' HB2' ' A' ' 99' ' ' ALA . 78.1 t -115.48 33.82 1.25 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.459 1.1 . . . . 0.0 109.309 -179.989 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 97' ' ' ALA . . . . . 0.415 ' O ' ' O ' ' A' ' 96' ' ' VAL . . . 46.04 95.3 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.485 1.116 . . . . 0.0 109.344 179.988 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 98' ' ' ALA . . . . . 0.562 ' HB1' ' HG3' ' A' ' 101' ' ' ARG . . . 45.88 58.54 4.29 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.51 1.131 . . . . 0.0 109.296 -179.98 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 99' ' ' ALA . . . . . 0.845 ' HB2' ' HB ' ' A' ' 96' ' ' VAL . . . -61.43 -67.08 0.44 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.544 1.153 . . . . 0.0 109.334 179.988 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . -104.96 58.28 0.48 Allowed Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.537 1.148 . . . . 0.0 111.007 179.973 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 101' ' ' ARG . . . . . 0.562 ' HG3' ' HB1' ' A' ' 98' ' ' ALA . 0.0 OUTLIER -72.03 -31.7 66.42 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.484 0.755 . . . . 0.0 110.303 179.995 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 5.5 pt-20 -58.12 -31.28 67.02 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.469 1.105 . . . . 0.0 110.268 -179.996 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 103' ' ' LEU . . . . . 0.886 HD11 ' HG2' ' A' ' 40' ' ' LYS . 43.1 mt -50.73 -45.04 58.44 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.521 1.138 . . . . 0.0 109.307 179.975 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 104' ' ' PHE . . . . . 0.421 ' CZ ' ' O ' ' A' ' 45' ' ' ILE . 41.9 m-85 . . . . . 0 C--N 1.325 -0.482 0 O-C-N 124.528 1.143 . . . . 0.0 111.044 179.966 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 23.2 mt-10 . . . . . 0 N--CA 1.453 -0.276 0 N-CA-C 110.273 -0.269 . . . . 0.0 110.273 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 17' ' ' LYS . . . . . 0.609 ' CE ' HD11 ' A' ' 95' ' ' ILE . 0.1 OUTLIER -112.18 143.9 42.46 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.567 1.167 . . . . 0.0 109.251 -179.977 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 18' ' ' LYS . . . . . 0.525 ' HD3' HG23 ' A' ' 92' ' ' THR . 0.0 OUTLIER -95.97 120.31 36.02 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.505 1.128 . . . . 0.0 109.291 179.982 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 19' ' ' VAL . . . . . 0.48 HG23 ' O ' ' A' ' 93' ' ' ILE . 0.2 OUTLIER -121.21 135.93 59.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.522 1.139 . . . . 0.0 109.27 -179.979 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 0.9 OUTLIER -108.76 113.93 27.28 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.44 1.088 . . . . 0.0 111.017 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 21' ' ' ILE . . . . . 0.46 ' CG1' HD12 ' A' ' 93' ' ' ILE . 20.9 mm -104.64 102.1 13.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.489 1.118 . . . . 0.0 109.297 179.977 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 22' ' ' SER . . . . . 0.429 ' C ' HD22 ' A' ' 23' ' ' LEU . 7.4 t -102.19 131.69 48.57 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.465 1.103 . . . . 0.0 110.007 -179.999 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.476 HD13 ' CD1' ' A' ' 53' ' ' LEU . 2.7 mm? . . . . . 0 C--N 1.325 -0.494 0 O-C-N 124.507 1.129 . . . . 0.0 109.35 179.984 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.032 0 N-CA-C 110.992 -0.843 . . . . 0.0 110.992 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 31' ' ' CYS . . . . . 0.487 ' HG ' ' HG ' ' A' ' 54' ' ' SER . 26.0 p -115.67 146.97 41.37 Favored 'General case' 0 C--N 1.325 -0.471 0 N-CA-C 108.322 -0.992 . . . . 0.0 108.322 179.984 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -108.19 136.5 47.75 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.515 1.134 . . . . 0.0 109.981 -179.935 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 33' ' ' ILE . . . . . 0.49 HD11 ' CG2' ' A' ' 82' ' ' VAL . 13.6 pt -107.21 144.88 15.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.485 1.116 . . . . 0.0 109.339 179.948 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 25.0 m -128.07 152.88 47.44 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.476 1.11 . . . . 0.0 110.019 179.984 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 90.2 p -83.81 139.82 32.44 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.486 1.116 . . . . 0.0 109.988 179.994 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -90.88 162.0 28.52 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.501 1.126 . . . . 0.0 111.035 179.95 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 -170.2 0.74 Allowed 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.514 1.797 . . . . 0.0 110.976 -179.982 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 5.2 tt -73.92 -29.53 26.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.46 1.1 . . . . 0.0 109.276 -179.986 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 12.6 pt20 -79.65 -28.47 40.85 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.49 1.119 . . . . 0.0 110.295 -179.972 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 40' ' ' LYS . . . . . 0.942 ' HG2' HD11 ' A' ' 103' ' ' LEU . 0.0 OUTLIER -136.77 61.83 38.02 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.514 1.134 . . . . 0.0 109.299 -179.971 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 41' ' ' PRO . . . . . 0.469 ' HD3' ' N ' ' A' ' 40' ' ' LYS . 18.3 Cg_endo -74.91 146.21 32.76 Favored 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.501 1.79 . . . . 0.0 111.037 179.967 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 142.31 -160.33 27.23 Favored Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.502 1.126 . . . . 0.0 110.983 179.979 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 43' ' ' ILE . . . . . 0.53 HG22 HD12 ' A' ' 65' ' ' ILE . 15.0 mm -119.81 126.03 74.9 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.474 0.749 . . . . 0.0 109.277 -179.938 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 44' ' ' PHE . . . . . 0.589 ' N ' ' CD1' ' A' ' 44' ' ' PHE . 0.8 OUTLIER -137.06 140.86 42.31 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.47 1.106 . . . . 0.0 111.016 -179.986 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 21.6 mt -64.96 142.25 17.16 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.515 1.134 . . . . 0.0 109.288 -179.993 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 1.1 p -110.5 -35.91 5.91 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.501 1.125 . . . . 0.0 109.958 -179.948 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 47' ' ' HIS . . . . . 0.441 ' O ' ' HA ' ' A' ' 31' ' ' CYS . 57.1 t-80 -158.95 147.87 18.55 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.505 1.128 . . . . 0.0 109.635 -179.963 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 48' ' ' VAL . . . . . 0.457 HG21 ' HB2' ' A' ' 54' ' ' SER . 2.5 p . . . . . 0 C--N 1.325 -0.485 0 O-C-N 124.503 1.127 . . . . 0.0 109.271 -179.969 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 14.3 p . . . . . 0 N--CA 1.453 -0.29 0 N-CA-C 109.967 -0.382 . . . . 0.0 109.967 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 53' ' ' LEU . . . . . 0.765 HD23 ' CD ' ' A' ' 56' ' ' GLU . 0.8 OUTLIER -88.45 -21.64 24.12 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.483 1.114 . . . . 0.0 109.304 -179.997 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 54' ' ' SER . . . . . 0.548 ' HB3' HD12 ' A' ' 59' ' ' LEU . 1.1 m -95.83 -29.75 14.05 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.543 1.152 . . . . 0.0 109.94 -179.949 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -73.49 -22.61 60.1 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.496 1.122 . . . . 0.0 109.33 -179.999 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 56' ' ' GLU . . . . . 0.765 ' CD ' HD23 ' A' ' 53' ' ' LEU . 3.6 pt-20 -72.88 -37.98 67.14 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.468 1.105 . . . . 0.0 110.288 -179.981 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 57' ' ' VAL . . . . . 0.504 ' CG2' ' HG ' ' A' ' 59' ' ' LEU . 0.9 OUTLIER -79.99 -26.84 12.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.475 1.109 . . . . 0.0 109.305 179.952 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 104.99 43.69 1.61 Allowed Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.477 1.11 . . . . 0.0 111.008 -179.968 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 59' ' ' LEU . . . . . 0.548 HD12 ' HB3' ' A' ' 54' ' ' SER . 19.2 mt -91.03 147.2 23.24 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.494 0.761 . . . . 0.0 109.281 179.978 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 33.0 mt-10 -143.9 163.02 34.6 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.503 1.127 . . . . 0.0 110.257 -179.993 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 32.7 mt -55.09 124.83 8.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.486 1.116 . . . . 0.0 109.296 179.993 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 121.01 -34.35 4.06 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.478 1.111 . . . . 0.0 111.008 -179.957 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 63' ' ' ASP . . . . . 0.471 ' OD2' ' CD2' ' A' ' 59' ' ' LEU . 90.8 m-20 -51.52 99.86 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.481 0.753 . . . . 0.0 109.313 -179.981 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 64' ' ' GLN . . . . . 0.623 ' HB3' ' HB3' ' A' ' 99' ' ' ALA . 29.5 tt0 -83.27 136.49 34.37 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.438 1.086 . . . . 0.0 110.314 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 65' ' ' ILE . . . . . 0.583 ' CG2' ' CG2' ' A' ' 68' ' ' VAL . 26.5 mt -89.54 109.73 20.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.479 1.112 . . . . 0.0 109.356 179.973 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 66' ' ' VAL . . . . . 0.603 HG22 ' O ' ' A' ' 94' ' ' SER . 18.6 m -100.59 -21.4 5.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.507 1.13 . . . . 0.0 109.355 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 67' ' ' GLU . . . . . 0.424 ' HG2' ' N ' ' A' ' 68' ' ' VAL . 27.6 tt0 -152.05 151.55 31.27 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.446 1.091 . . . . 0.0 110.306 179.964 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 68' ' ' VAL . . . . . 0.626 ' O ' HG23 ' A' ' 71' ' ' VAL . 86.4 t -151.21 113.78 0.53 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.492 1.12 . . . . 0.0 109.314 -179.986 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 69' ' ' ASN . . . . . 0.756 ' ND2' HD23 ' A' ' 91' ' ' LEU . 1.1 t-20 58.56 20.73 7.89 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.523 1.139 . . . . 0.0 109.32 -179.993 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 95.31 8.87 58.42 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.472 1.107 . . . . 0.0 111.007 -179.978 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 71' ' ' VAL . . . . . 0.626 HG23 ' O ' ' A' ' 68' ' ' VAL . 78.4 t -83.53 158.91 3.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.491 0.76 . . . . 0.0 109.261 -179.986 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 6.1 t0 -94.71 88.17 5.29 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.509 1.131 . . . . 0.0 109.328 179.958 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 73' ' ' PHE . . . . . 0.936 ' CD1' HD12 ' A' ' 76' ' ' LEU . 4.0 m-85 -91.85 17.17 9.49 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.477 1.111 . . . . 0.0 110.984 180.0 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -67.15 -38.38 85.38 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.502 1.126 . . . . 0.0 109.987 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 61.2 m-80 -140.11 54.5 1.64 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.565 1.166 . . . . 0.0 109.319 179.969 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 76' ' ' LEU . . . . . 0.936 HD12 ' CD1' ' A' ' 73' ' ' PHE . 6.2 mt -89.25 -166.76 1.68 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.505 1.128 . . . . 0.0 109.363 179.965 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 33.9 t70 -130.46 169.56 15.36 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.515 1.134 . . . . 0.0 109.283 179.982 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 78' ' ' HIS . . . . . . . . . . . . . 61.5 t-80 -70.51 -6.97 40.07 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.534 1.146 . . . . 0.0 109.584 179.979 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -108.96 -38.02 5.69 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.516 1.135 . . . . 0.0 109.29 -179.999 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 80' ' ' GLU . . . . . 0.759 ' O ' HG23 ' A' ' 84' ' ' VAL . 4.1 mt-10 -77.28 -38.05 51.61 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.535 1.147 . . . . 0.0 110.274 -179.99 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 81' ' ' ALA . . . . . 0.515 ' HA ' HD13 ' A' ' 76' ' ' LEU . . . -69.62 -33.77 73.14 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.532 1.145 . . . . 0.0 109.264 -179.985 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 82' ' ' VAL . . . . . 0.49 ' CG2' HD11 ' A' ' 33' ' ' ILE . 55.3 t -77.52 -57.37 5.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.516 1.135 . . . . 0.0 109.273 -179.971 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 8.6 t30 -46.42 -44.7 17.45 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.505 1.128 . . . . 0.0 109.316 179.984 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 84' ' ' VAL . . . . . 0.759 HG23 ' O ' ' A' ' 80' ' ' GLU . 68.9 t -62.86 -33.23 59.18 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.506 1.129 . . . . 0.0 109.336 179.961 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 85' ' ' LEU . . . . . 0.471 ' N ' ' O ' ' A' ' 82' ' ' VAL . 37.8 mt -75.38 -34.8 61.13 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.494 1.121 . . . . 0.0 109.298 -179.96 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 86' ' ' LYS . . . . . 0.471 ' O ' ' C ' ' A' ' 87' ' ' SER . 2.4 mtmt -77.54 -28.94 52.04 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.413 1.071 . . . . 0.0 109.287 179.971 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 87' ' ' SER . . . . . 0.471 ' C ' ' O ' ' A' ' 86' ' ' LYS . 40.5 t -33.87 -70.5 0.08 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.526 1.141 . . . . 0.0 110.005 -179.985 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 88' ' ' SER . . . . . 0.793 ' O ' HD11 ' A' ' 91' ' ' LEU . 0.3 OUTLIER -125.57 176.93 6.52 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.486 1.116 . . . . 0.0 109.961 -179.995 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 22.5 mmt-85 -86.84 -57.4 2.99 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.532 1.145 . . . . 0.0 110.299 179.992 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -76.68 106.07 8.12 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.5 1.125 . . . . 0.0 110.013 -179.976 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 91' ' ' LEU . . . . . 0.793 HD11 ' O ' ' A' ' 88' ' ' SER . 1.0 OUTLIER -131.21 146.67 52.42 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.55 1.156 . . . . 0.0 109.277 179.993 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 92' ' ' THR . . . . . 0.525 HG23 ' HD3' ' A' ' 18' ' ' LYS . 26.6 m -105.85 101.22 10.73 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.551 1.157 . . . . 0.0 110.393 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 93' ' ' ILE . . . . . 0.48 ' O ' HG23 ' A' ' 19' ' ' VAL . 13.6 mt -89.34 133.68 30.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.47 1.106 . . . . 0.0 109.305 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 94' ' ' SER . . . . . 0.603 ' O ' HG22 ' A' ' 66' ' ' VAL . 0.3 OUTLIER -115.17 103.08 10.51 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.48 1.112 . . . . 0.0 109.985 -179.974 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 95' ' ' ILE . . . . . 0.609 HD11 ' CE ' ' A' ' 17' ' ' LYS . 1.1 pt -100.8 166.05 2.42 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.515 1.134 . . . . 0.0 109.262 -179.982 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 96' ' ' VAL . . . . . 0.924 ' HB ' ' HB2' ' A' ' 99' ' ' ALA . 74.6 t -109.34 33.69 0.77 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.523 1.139 . . . . 0.0 109.325 179.983 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 97' ' ' ALA . . . . . 0.51 ' H ' HD12 ' A' ' 95' ' ' ILE . . . 45.4 93.29 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.501 1.126 . . . . 0.0 109.31 179.983 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 98' ' ' ALA . . . . . 0.722 ' HB1' ' HG3' ' A' ' 101' ' ' ARG . . . 47.81 58.6 4.86 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.527 1.142 . . . . 0.0 109.274 179.983 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 99' ' ' ALA . . . . . 0.924 ' HB2' ' HB ' ' A' ' 96' ' ' VAL . . . -62.32 -64.93 0.77 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.49 1.119 . . . . 0.0 109.282 -179.98 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . -105.21 57.45 0.5 Allowed Glycine 0 CA--C 1.531 1.041 0 O-C-N 124.513 1.133 . . . . 0.0 110.988 -179.982 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 101' ' ' ARG . . . . . 0.722 ' HG3' ' HB1' ' A' ' 98' ' ' ALA . 0.0 OUTLIER -67.81 -26.84 66.28 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.497 0.763 . . . . 0.0 110.329 179.975 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 4.1 tp10 -50.73 -46.81 59.28 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.508 1.13 . . . . 0.0 110.272 179.991 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 103' ' ' LEU . . . . . 0.942 HD11 ' HG2' ' A' ' 40' ' ' LYS . 59.8 mt -42.94 -48.79 5.95 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.527 1.142 . . . . 0.0 109.358 179.987 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 104' ' ' PHE . . . . . . . . . . . . . 5.5 m-85 . . . . . 0 C--N 1.324 -0.501 0 O-C-N 124.553 1.158 . . . . 0.0 111.003 179.985 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 26.6 mt-10 . . . . . 0 N--CA 1.452 -0.325 0 N-CA-C 110.342 -0.244 . . . . 0.0 110.342 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 17' ' ' LYS . . . . . 0.887 ' HE2' HD11 ' A' ' 95' ' ' ILE . 0.1 OUTLIER -109.92 147.22 33.81 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.444 1.09 . . . . 0.0 109.288 -179.96 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -95.88 128.78 43.06 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.497 1.123 . . . . 0.0 109.334 179.965 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 19' ' ' VAL . . . . . 0.701 HG22 ' O ' ' A' ' 93' ' ' ILE . 23.9 m -125.4 156.58 34.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.481 1.113 . . . . 0.0 109.32 -179.985 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 20' ' ' PHE . . . . . 0.603 ' CE1' ' OG1' ' A' ' 92' ' ' THR . 2.3 t80 -131.23 111.48 11.95 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.49 1.119 . . . . 0.0 110.951 -179.986 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 21' ' ' ILE . . . . . 0.645 HG23 HD23 ' A' ' 53' ' ' LEU . 1.1 mp -95.26 101.92 13.0 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.484 1.115 . . . . 0.0 109.31 -179.987 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 22' ' ' SER . . . . . 0.678 ' O ' HD11 ' A' ' 53' ' ' LEU . 27.2 t -95.04 109.81 21.81 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.501 1.126 . . . . 0.0 109.952 -179.936 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.468 ' HB2' ' CA ' ' A' ' 89' ' ' ARG . 0.4 OUTLIER . . . . . 0 C--N 1.325 -0.46 0 O-C-N 124.474 1.109 . . . . 0.0 109.31 179.967 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.029 0 N-CA-C 111.017 -0.833 . . . . 0.0 111.017 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 31' ' ' CYS . . . . . 0.487 ' HB3' HG22 ' A' ' 48' ' ' VAL . 27.9 p -139.05 142.48 38.2 Favored 'General case' 0 C--N 1.325 -0.48 0 N-CA-C 108.289 -1.004 . . . . 0.0 108.289 -179.98 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -88.14 133.25 34.05 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.48 1.113 . . . . 0.0 110.049 179.934 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 33' ' ' ILE . . . . . 0.42 HD11 ' CG2' ' A' ' 82' ' ' VAL . 9.7 pt -112.8 143.19 23.0 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.528 0 O-C-N 124.529 1.143 . . . . 0.0 109.287 -179.98 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -137.55 166.23 24.4 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.459 1.099 . . . . 0.0 109.998 -179.988 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 61.6 m -104.17 133.23 49.44 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.499 1.125 . . . . 0.0 109.934 -179.983 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -72.99 178.06 41.06 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.525 1.14 . . . . 0.0 111.013 179.954 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 -171.4 0.97 Allowed 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.519 1.8 . . . . 0.0 110.97 -179.969 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 5.4 tt -73.38 -30.14 29.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.543 1.152 . . . . 0.0 109.29 -179.959 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 16.7 pt20 -77.64 -29.77 51.84 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.483 1.115 . . . . 0.0 110.309 179.997 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 40' ' ' LYS . . . . . 0.622 ' HD3' HD11 ' A' ' 103' ' ' LEU . 22.6 tttp -137.77 62.53 35.03 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.505 1.128 . . . . 0.0 109.314 179.972 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 41' ' ' PRO . . . . . 0.457 ' HD3' ' N ' ' A' ' 40' ' ' LYS . 18.4 Cg_endo -75.01 146.99 33.26 Favored 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.517 1.799 . . . . 0.0 110.995 179.979 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 154.58 -168.04 32.65 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.528 1.142 . . . . 0.0 110.977 -179.966 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 43' ' ' ILE . . . . . 0.68 HG22 HD12 ' A' ' 65' ' ' ILE . 14.6 mm -117.47 115.19 47.88 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.531 0.783 . . . . 0.0 109.292 -179.994 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 44' ' ' PHE . . . . . 0.595 ' CD2' ' HB2' ' A' ' 64' ' ' GLN . 2.2 m-85 -123.88 157.82 33.34 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.472 1.108 . . . . 0.0 111.001 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 45' ' ' ILE . . . . . 0.595 ' O ' ' CZ ' ' A' ' 104' ' ' PHE . 20.4 mt -86.26 142.72 12.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.447 1.092 . . . . 0.0 109.31 -179.977 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 46' ' ' SER . . . . . 0.49 ' HA ' ' CE1' ' A' ' 104' ' ' PHE . 1.0 OUTLIER -105.78 -37.4 6.72 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.485 1.116 . . . . 0.0 110.018 179.982 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 59.4 t-80 -151.28 166.44 30.94 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.483 1.114 . . . . 0.0 109.585 -179.976 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 48' ' ' VAL . . . . . 0.487 HG22 ' HB3' ' A' ' 31' ' ' CYS . 17.2 t . . . . . 0 C--N 1.325 -0.462 0 O-C-N 124.471 1.107 . . . . 0.0 109.275 -179.992 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 79.1 p . . . . . 0 N--CA 1.452 -0.325 0 N-CA-C 109.973 -0.38 . . . . 0.0 109.973 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 53' ' ' LEU . . . . . 0.678 HD11 ' O ' ' A' ' 22' ' ' SER . 1.5 tp -68.99 -15.43 63.48 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.494 1.121 . . . . 0.0 109.261 -179.953 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 54' ' ' SER . . . . . 0.616 ' O ' HG22 ' A' ' 57' ' ' VAL . 0.0 OUTLIER -94.1 -45.21 7.65 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.505 1.128 . . . . 0.0 109.987 -179.983 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 55' ' ' ALA . . . . . 0.445 ' O ' ' N ' ' A' ' 58' ' ' GLY . . . -66.53 -46.57 75.71 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.557 1.161 . . . . 0.0 109.31 179.989 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 56' ' ' GLU . . . . . 0.667 ' HG3' HG13 ' A' ' 57' ' ' VAL . 11.5 pt-20 -44.63 -33.25 1.74 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.519 1.137 . . . . 0.0 110.298 -179.99 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 57' ' ' VAL . . . . . 0.667 HG13 ' HG3' ' A' ' 56' ' ' GLU . 34.6 m -95.04 -25.77 4.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.516 1.135 . . . . 0.0 109.319 179.959 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 58' ' ' GLY . . . . . 0.445 ' N ' ' O ' ' A' ' 55' ' ' ALA . . . 102.96 36.27 3.47 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.515 1.134 . . . . 0.0 111.044 -179.967 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 59' ' ' LEU . . . . . 0.488 ' HG ' HG23 ' A' ' 57' ' ' VAL . 18.0 mt -81.7 138.26 35.27 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.505 0.767 . . . . 0.0 109.269 -179.981 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 46.0 mt-10 -134.55 167.42 20.82 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.519 1.137 . . . . 0.0 110.295 179.981 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 61' ' ' ILE . . . . . 0.468 ' O ' ' CG ' ' A' ' 101' ' ' ARG . 36.6 mt -56.93 135.62 20.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.506 1.129 . . . . 0.0 109.321 179.948 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 107.23 -31.36 8.19 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.481 1.113 . . . . 0.0 111.016 -179.987 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 63' ' ' ASP . . . . . 0.584 ' CG ' HD13 ' A' ' 95' ' ' ILE . 37.6 m-20 -54.2 97.54 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.499 0.764 . . . . 0.0 109.311 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 64' ' ' GLN . . . . . 0.595 ' HB2' ' CD2' ' A' ' 44' ' ' PHE . 36.1 tt0 -83.2 125.05 31.13 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.489 1.118 . . . . 0.0 110.254 -179.948 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 65' ' ' ILE . . . . . 0.68 HD12 HG22 ' A' ' 43' ' ' ILE . 20.0 mt -75.87 108.32 7.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.537 1.148 . . . . 0.0 109.302 179.938 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 66' ' ' VAL . . . . . 0.717 HG22 ' O ' ' A' ' 94' ' ' SER . 20.9 m -99.34 -21.37 5.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.502 1.126 . . . . 0.0 109.338 179.932 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 67' ' ' GLU . . . . . 0.426 ' C ' HG23 ' A' ' 68' ' ' VAL . 36.1 tt0 -153.26 153.02 31.84 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.536 1.148 . . . . 0.0 110.275 -179.984 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 68' ' ' VAL . . . . . 0.634 ' O ' HG23 ' A' ' 71' ' ' VAL . 94.3 t -152.64 115.38 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.529 1.143 . . . . 0.0 109.326 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 69' ' ' ASN . . . . . 0.861 ' ND2' HD23 ' A' ' 91' ' ' LEU . 1.0 OUTLIER 56.36 24.11 8.02 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.484 1.115 . . . . 0.0 109.285 -179.998 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 89.23 18.39 53.37 Favored Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.507 1.129 . . . . 0.0 110.969 179.968 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 71' ' ' VAL . . . . . 0.634 HG23 ' O ' ' A' ' 68' ' ' VAL . 86.6 t -93.63 158.68 2.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.535 0.785 . . . . 0.0 109.322 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 8.6 t0 -92.53 86.46 5.63 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.506 1.129 . . . . 0.0 109.293 -179.952 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 73' ' ' PHE . . . . . 0.812 ' CD1' HD12 ' A' ' 76' ' ' LEU . 4.6 m-85 -93.44 25.68 3.32 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.497 1.123 . . . . 0.0 111.021 -179.983 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -81.02 -34.93 32.5 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.5 1.125 . . . . 0.0 110.033 179.963 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 20.5 m120 -136.58 46.08 2.26 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.499 1.125 . . . . 0.0 109.297 179.995 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 76' ' ' LEU . . . . . 0.812 HD12 ' CD1' ' A' ' 73' ' ' PHE . 6.3 mt -84.72 -166.83 1.58 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.469 1.106 . . . . 0.0 109.32 -179.985 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 39.0 t70 -132.65 170.21 15.55 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.499 1.124 . . . . 0.0 109.285 179.999 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 78' ' ' HIS . . . . . . . . . . . . . 64.3 t-80 -71.39 -6.18 38.26 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.453 1.096 . . . . 0.0 109.583 179.996 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 18.0 mttt -109.39 -37.06 5.84 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.472 1.107 . . . . 0.0 109.34 179.97 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 80' ' ' GLU . . . . . 0.703 ' CB ' HD22 ' A' ' 76' ' ' LEU . 9.4 mt-10 -77.91 -36.3 49.64 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.522 1.138 . . . . 0.0 110.262 -179.979 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 81' ' ' ALA . . . . . 0.438 ' HA ' HD13 ' A' ' 76' ' ' LEU . . . -72.02 -31.89 66.63 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.557 1.161 . . . . 0.0 109.289 -179.976 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 82' ' ' VAL . . . . . 0.817 HG12 ' CE ' ' A' ' 86' ' ' LYS . 21.0 t -81.19 -40.2 18.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.52 1.138 . . . . 0.0 109.299 -179.983 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 36.1 t30 -62.03 -42.97 99.74 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.496 1.122 . . . . 0.0 109.289 179.989 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 84' ' ' VAL . . . . . 0.496 HG23 ' O ' ' A' ' 80' ' ' GLU . 78.5 t -73.99 -30.46 27.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.451 1.094 . . . . 0.0 109.276 -179.968 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 19.0 mt -76.85 -31.08 56.61 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.527 1.142 . . . . 0.0 109.259 -179.96 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 86' ' ' LYS . . . . . 0.817 ' CE ' HG12 ' A' ' 82' ' ' VAL . 8.9 ptpt -94.03 -9.37 37.01 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.488 1.118 . . . . 0.0 109.312 -179.99 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -53.62 -62.72 1.47 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.513 1.133 . . . . 0.0 109.983 -179.95 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 88' ' ' SER . . . . . 0.831 ' O ' HD11 ' A' ' 91' ' ' LEU . 0.2 OUTLIER -120.86 164.91 15.93 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.499 1.124 . . . . 0.0 109.973 179.993 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 89' ' ' ARG . . . . . 0.468 ' CA ' ' HB2' ' A' ' 23' ' ' LEU . 50.9 mmt-85 -74.06 -64.65 0.97 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.518 1.137 . . . . 0.0 110.284 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 1.1 m -81.25 122.44 27.42 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.546 1.154 . . . . 0.0 109.975 -179.96 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 91' ' ' LEU . . . . . 0.861 HD23 ' ND2' ' A' ' 69' ' ' ASN . 1.0 OUTLIER -140.94 149.21 41.56 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.521 1.138 . . . . 0.0 109.277 179.996 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 92' ' ' THR . . . . . 0.603 ' OG1' ' CE1' ' A' ' 20' ' ' PHE . 16.0 m -104.78 100.9 10.53 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.525 1.141 . . . . 0.0 110.424 179.971 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 93' ' ' ILE . . . . . 0.701 ' O ' HG22 ' A' ' 19' ' ' VAL . 22.7 mt -89.19 141.2 14.64 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.481 1.113 . . . . 0.0 109.308 -179.993 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 94' ' ' SER . . . . . 0.717 ' O ' HG22 ' A' ' 66' ' ' VAL . 0.3 OUTLIER -121.26 103.63 9.13 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.465 1.103 . . . . 0.0 110.007 -179.981 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 95' ' ' ILE . . . . . 0.887 HD11 ' HE2' ' A' ' 17' ' ' LYS . 1.1 pt -100.1 166.86 2.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.508 1.13 . . . . 0.0 109.33 179.994 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 96' ' ' VAL . . . . . 0.899 ' HB ' ' HB2' ' A' ' 99' ' ' ALA . 71.0 t -108.28 31.5 0.96 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.491 1.119 . . . . 0.0 109.263 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 97' ' ' ALA . . . . . 0.606 ' H ' HD12 ' A' ' 95' ' ' ILE . . . 47.27 96.04 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.557 1.16 . . . . 0.0 109.313 -179.976 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 98' ' ' ALA . . . . . 0.489 ' HB1' ' HG3' ' A' ' 101' ' ' ARG . . . 45.78 58.09 4.59 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.574 1.171 . . . . 0.0 109.299 179.994 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 99' ' ' ALA . . . . . 0.899 ' HB2' ' HB ' ' A' ' 96' ' ' VAL . . . -64.09 -61.54 2.2 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.439 1.087 . . . . 0.0 109.295 -179.962 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . -111.53 60.0 0.35 Allowed Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.509 1.13 . . . . 0.0 110.988 179.97 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 101' ' ' ARG . . . . . 0.489 ' HG3' ' HB1' ' A' ' 98' ' ' ALA . 0.0 OUTLIER -72.06 -24.9 61.59 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.539 0.787 . . . . 0.0 110.3 179.965 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -70.48 -22.73 62.64 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.459 1.1 . . . . 0.0 110.301 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 103' ' ' LEU . . . . . 0.622 HD11 ' HD3' ' A' ' 40' ' ' LYS . 21.1 mt -61.86 -21.71 64.91 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.534 1.146 . . . . 0.0 109.264 179.963 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 104' ' ' PHE . . . . . 0.595 ' CZ ' ' O ' ' A' ' 45' ' ' ILE . 56.9 m-85 . . . . . 0 C--N 1.325 -0.494 0 O-C-N 124.531 1.144 . . . . 0.0 110.998 179.989 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 N--CA 1.452 -0.34 0 N-CA-C 110.317 -0.253 . . . . 0.0 110.317 . . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 17' ' ' LYS . . . . . 0.419 ' CG ' HG13 ' A' ' 95' ' ' ILE . 0.0 OUTLIER -132.43 143.83 50.07 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.507 1.129 . . . . 0.0 109.363 179.971 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -100.82 112.03 24.36 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.473 1.108 . . . . 0.0 109.298 -179.95 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 19' ' ' VAL . . . . . 0.681 HG23 ' HB ' ' A' ' 93' ' ' ILE . 3.6 m -117.37 130.25 72.56 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.523 1.139 . . . . 0.0 109.292 -179.971 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 20' ' ' PHE . . . . . 0.415 ' CD1' ' O ' ' A' ' 91' ' ' LEU . 0.1 OUTLIER -108.11 110.28 21.9 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.443 1.089 . . . . 0.0 110.995 179.977 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 20.6 mm -97.01 121.05 47.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.435 1.084 . . . . 0.0 109.261 -179.964 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 22' ' ' SER . . . . . 0.704 ' O ' HD11 ' A' ' 53' ' ' LEU . 82.6 p -118.7 119.54 34.76 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.546 1.154 . . . . 0.0 109.996 -179.993 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 4.4 mm? . . . . . 0 C--N 1.325 -0.479 0 O-C-N 124.523 1.14 . . . . 0.0 109.276 -179.97 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.029 0 N-CA-C 110.962 -0.855 . . . . 0.0 110.962 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 31' ' ' CYS . . . . . 0.446 ' HA ' ' O ' ' A' ' 47' ' ' HIS . 26.5 p -119.27 147.13 44.63 Favored 'General case' 0 C--N 1.324 -0.51 0 N-CA-C 108.312 -0.995 . . . . 0.0 108.312 179.945 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -109.45 135.44 50.48 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.52 1.137 . . . . 0.0 109.983 -179.971 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 33' ' ' ILE . . . . . 0.424 HD11 ' CG2' ' A' ' 82' ' ' VAL . 14.9 pt -104.66 152.65 6.7 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 O-C-N 124.505 1.128 . . . . 0.0 109.281 -179.945 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 34' ' ' SER . . . . . 0.423 ' HG ' ' HZ ' ' A' ' 104' ' ' PHE . 59.1 p -132.42 159.21 39.95 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.509 1.131 . . . . 0.0 109.967 -179.96 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 24.3 p -88.1 147.93 24.7 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.5 1.125 . . . . 0.0 110.025 179.984 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -104.08 160.4 16.02 Favored Glycine 0 CA--C 1.53 0.969 0 O-C-N 124.496 1.123 . . . . 0.0 110.985 -179.97 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 -166.64 0.36 Allowed 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.504 1.792 . . . . 0.0 110.978 -179.96 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 38' ' ' ILE . . . . . 0.423 HG22 ' H ' ' A' ' 38' ' ' ILE . 0.8 OUTLIER -76.65 -30.48 18.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.524 1.14 . . . . 0.0 109.307 179.996 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 7.7 pt20 -79.29 -28.31 42.24 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.489 1.118 . . . . 0.0 110.281 -179.996 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 40' ' ' LYS . . . . . 0.731 ' HG2' HD11 ' A' ' 103' ' ' LEU . 0.0 OUTLIER -136.22 61.26 38.3 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.533 1.145 . . . . 0.0 109.298 -179.972 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 41' ' ' PRO . . . . . 0.474 ' HD3' ' N ' ' A' ' 40' ' ' LYS . 18.4 Cg_endo -74.97 146.72 33.12 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.5 1.79 . . . . 0.0 111.037 179.984 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 138.09 -168.67 24.5 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.492 1.12 . . . . 0.0 111.001 -179.982 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 43' ' ' ILE . . . . . 0.663 HG22 HD12 ' A' ' 65' ' ' ILE . 14.4 mm -109.85 123.99 66.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.475 0.75 . . . . 0.0 109.295 -179.991 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 44' ' ' PHE . . . . . 0.575 ' CD2' ' HB2' ' A' ' 64' ' ' GLN . 1.4 m-85 -129.67 139.83 51.29 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.483 1.115 . . . . 0.0 110.991 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 45' ' ' ILE . . . . . 0.608 ' O ' ' CZ ' ' A' ' 104' ' ' PHE . 8.6 mt -63.88 147.21 12.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.48 1.113 . . . . 0.0 109.298 179.954 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 1.5 p -117.17 -37.62 3.51 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.492 1.12 . . . . 0.0 110.026 179.978 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 47' ' ' HIS . . . . . 0.446 ' O ' ' HA ' ' A' ' 31' ' ' CYS . 57.3 t-80 -158.96 147.68 18.4 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.493 1.121 . . . . 0.0 109.613 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 48' ' ' VAL . . . . . 0.496 HG21 ' HB2' ' A' ' 54' ' ' SER . 2.5 p . . . . . 0 C--N 1.325 -0.473 0 O-C-N 124.535 1.147 . . . . 0.0 109.282 179.978 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 26.6 p . . . . . 0 N--CA 1.453 -0.309 0 N-CA-C 110.032 -0.359 . . . . 0.0 110.032 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 53' ' ' LEU . . . . . 0.704 HD11 ' O ' ' A' ' 22' ' ' SER . 0.8 OUTLIER -86.83 -20.6 27.28 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.506 1.129 . . . . 0.0 109.274 179.985 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 54' ' ' SER . . . . . 0.643 ' HB3' HD12 ' A' ' 59' ' ' LEU . 0.7 OUTLIER -94.66 -30.93 14.07 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.469 1.106 . . . . 0.0 110.028 179.962 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -70.36 -19.88 63.01 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.491 1.12 . . . . 0.0 109.307 179.975 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 56' ' ' GLU . . . . . 0.474 ' CG ' ' O ' ' A' ' 53' ' ' LEU . 2.3 pt-20 -78.01 -33.67 51.11 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.563 1.164 . . . . 0.0 110.309 179.988 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 57' ' ' VAL . . . . . 0.512 ' CG2' ' HG ' ' A' ' 59' ' ' LEU . 0.9 OUTLIER -83.68 -23.91 7.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.478 1.111 . . . . 0.0 109.297 -179.963 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 100.86 39.09 3.22 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.436 1.085 . . . . 0.0 110.957 179.954 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 59' ' ' LEU . . . . . 0.643 HD12 ' HB3' ' A' ' 54' ' ' SER . 13.4 mt -84.8 148.71 26.18 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.505 0.768 . . . . 0.0 109.368 179.943 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 33.8 mt-10 -145.47 162.87 36.33 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.505 1.128 . . . . 0.0 110.318 -179.993 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 61' ' ' ILE . . . . . 0.444 ' O ' ' NH1' ' A' ' 101' ' ' ARG . 42.5 mt -56.05 124.25 8.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.532 1.145 . . . . 0.0 109.312 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 121.27 -38.64 2.6 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.447 1.092 . . . . 0.0 111.022 -179.942 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 63' ' ' ASP . . . . . 0.709 ' HB3' HD13 ' A' ' 95' ' ' ILE . 92.1 m-20 -48.04 98.0 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.514 0.773 . . . . 0.0 109.275 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 64' ' ' GLN . . . . . 0.636 ' HB3' ' HB3' ' A' ' 99' ' ' ALA . 5.1 tt0 -83.11 134.4 35.0 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.477 1.11 . . . . 0.0 110.312 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 65' ' ' ILE . . . . . 0.745 HG23 HG23 ' A' ' 93' ' ' ILE . 7.2 mt -88.51 110.62 21.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.483 1.114 . . . . 0.0 109.316 179.974 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 66' ' ' VAL . . . . . 0.729 HG22 ' O ' ' A' ' 94' ' ' SER . 19.4 m -100.67 -21.65 5.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.48 1.112 . . . . 0.0 109.271 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 67' ' ' GLU . . . . . 0.451 ' HG2' ' N ' ' A' ' 68' ' ' VAL . 48.6 tt0 -150.69 152.77 34.43 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.52 1.138 . . . . 0.0 110.3 179.958 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 68' ' ' VAL . . . . . 0.708 ' O ' HG23 ' A' ' 71' ' ' VAL . 85.0 t -152.6 121.34 0.76 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.494 1.121 . . . . 0.0 109.255 -179.93 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 69' ' ' ASN . . . . . 0.868 ' ND2' HD23 ' A' ' 91' ' ' LEU . 1.1 t-20 49.69 28.81 2.8 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.513 1.133 . . . . 0.0 109.3 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 84.37 24.67 46.34 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.485 1.115 . . . . 0.0 110.987 179.986 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 71' ' ' VAL . . . . . 0.708 HG23 ' O ' ' A' ' 68' ' ' VAL . 94.9 t -99.56 158.99 3.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.505 0.767 . . . . 0.0 109.261 -179.982 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 6.1 t0 -94.65 88.9 5.56 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.419 1.075 . . . . 0.0 109.286 179.981 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 73' ' ' PHE . . . . . 0.825 ' CD1' HD12 ' A' ' 76' ' ' LEU . 4.5 m-85 -93.97 12.78 24.96 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.492 1.12 . . . . 0.0 110.957 -179.976 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -64.04 -37.05 86.02 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.498 1.124 . . . . 0.0 109.963 -179.971 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 54.9 m-80 -141.1 55.8 1.55 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.498 1.124 . . . . 0.0 109.295 -179.998 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 76' ' ' LEU . . . . . 0.825 HD12 ' CD1' ' A' ' 73' ' ' PHE . 5.6 mt -88.97 -166.17 1.53 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.479 1.112 . . . . 0.0 109.299 -179.989 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 20.4 t70 -129.93 169.01 15.77 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.493 1.121 . . . . 0.0 109.323 179.996 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 78' ' ' HIS . . . . . . . . . . . . . 64.9 t-80 -70.97 -6.61 40.03 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.502 1.126 . . . . 0.0 109.618 179.961 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 4.7 mttm -110.1 -37.88 5.46 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.522 1.139 . . . . 0.0 109.323 179.994 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 80' ' ' GLU . . . . . 0.703 ' CB ' HD22 ' A' ' 76' ' ' LEU . 12.2 mt-10 -76.31 -34.92 59.03 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.56 1.162 . . . . 0.0 110.28 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 81' ' ' ALA . . . . . 0.472 ' HA ' HD13 ' A' ' 76' ' ' LEU . . . -72.73 -35.93 67.64 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.434 1.084 . . . . 0.0 109.28 -179.988 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 82' ' ' VAL . . . . . 0.821 HG12 ' CE ' ' A' ' 86' ' ' LYS . 45.7 t -78.83 -36.15 18.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.499 1.124 . . . . 0.0 109.287 179.997 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 83' ' ' ASN . . . . . 0.43 ' O ' ' N ' ' A' ' 87' ' ' SER . 20.1 t30 -64.19 -47.15 80.89 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.51 1.131 . . . . 0.0 109.36 -180.0 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 84' ' ' VAL . . . . . 0.537 HG11 HG21 ' A' ' 71' ' ' VAL . 77.8 t -68.51 -30.57 47.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.494 1.121 . . . . 0.0 109.288 179.971 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 23.4 mt -76.25 -40.18 52.55 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.531 1.144 . . . . 0.0 109.263 -179.974 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 86' ' ' LYS . . . . . 0.821 ' CE ' HG12 ' A' ' 82' ' ' VAL . 9.2 ptpt -86.49 -5.92 59.03 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.528 1.142 . . . . 0.0 109.339 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 87' ' ' SER . . . . . 0.43 ' N ' ' O ' ' A' ' 83' ' ' ASN . 0.2 OUTLIER -57.22 -52.26 66.03 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.486 1.116 . . . . 0.0 110.023 -179.987 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 88' ' ' SER . . . . . 0.656 ' O ' HD11 ' A' ' 91' ' ' LEU . 0.2 OUTLIER -133.87 176.04 8.93 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.503 1.127 . . . . 0.0 109.987 179.962 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 5.9 mmt180 -86.91 -60.33 2.01 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.522 1.139 . . . . 0.0 110.277 -179.977 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -81.53 116.21 21.2 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.493 1.121 . . . . 0.0 110.015 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 91' ' ' LEU . . . . . 0.868 HD23 ' ND2' ' A' ' 69' ' ' ASN . 1.0 OUTLIER -139.93 149.27 43.11 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.561 1.163 . . . . 0.0 109.31 -179.992 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 92' ' ' THR . . . . . 0.403 ' O ' ' N ' ' A' ' 69' ' ' ASN . 20.8 m -106.1 103.5 12.99 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.47 1.106 . . . . 0.0 110.384 -179.981 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 93' ' ' ILE . . . . . 0.745 HG23 HG23 ' A' ' 65' ' ' ILE . 18.6 mt -89.68 139.41 17.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.445 1.091 . . . . 0.0 109.252 -179.981 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 94' ' ' SER . . . . . 0.729 ' O ' HG22 ' A' ' 66' ' ' VAL . 0.6 OUTLIER -123.53 100.54 6.86 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.535 1.147 . . . . 0.0 109.962 -179.983 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 95' ' ' ILE . . . . . 0.709 HD13 ' HB3' ' A' ' 63' ' ' ASP . 1.8 pt -100.19 174.27 0.99 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.478 1.111 . . . . 0.0 109.334 179.959 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 96' ' ' VAL . . . . . 0.865 ' HB ' ' HB2' ' A' ' 99' ' ' ALA . 76.9 t -112.31 34.45 0.89 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.491 1.119 . . . . 0.0 109.296 -179.963 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . 45.91 93.94 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.502 1.126 . . . . 0.0 109.324 -179.984 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 98' ' ' ALA . . . . . 0.67 ' HB1' ' HG3' ' A' ' 101' ' ' ARG . . . 48.16 57.12 6.45 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.506 1.129 . . . . 0.0 109.327 -179.978 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 99' ' ' ALA . . . . . 0.865 ' HB2' ' HB ' ' A' ' 96' ' ' VAL . . . -61.15 -67.99 0.35 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.483 1.115 . . . . 0.0 109.328 -179.968 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . -102.71 57.34 0.6 Allowed Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.514 1.134 . . . . 0.0 111.007 179.986 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 101' ' ' ARG . . . . . 0.67 ' HG3' ' HB1' ' A' ' 98' ' ' ALA . 0.0 OUTLIER -66.2 -33.81 76.61 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.483 0.755 . . . . 0.0 110.285 -179.996 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 14.0 pt-20 -49.95 -41.24 46.08 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.509 1.131 . . . . 0.0 110.324 -179.975 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 103' ' ' LEU . . . . . 0.731 HD11 ' HG2' ' A' ' 40' ' ' LYS . 63.9 mt -41.31 -42.82 2.29 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.499 1.124 . . . . 0.0 109.319 179.981 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 104' ' ' PHE . . . . . 0.608 ' CZ ' ' O ' ' A' ' 45' ' ' ILE . 19.2 m-85 . . . . . 0 C--N 1.325 -0.464 0 O-C-N 124.494 1.121 . . . . 0.0 111.009 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.968 0 N-CA-C 110.992 -0.843 . . . . 0.0 110.992 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 16.7 p -164.0 108.59 1.0 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.466 0.745 . . . . 0.0 110.016 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -170.53 117.3 0.51 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.539 1.15 . . . . 0.0 110.012 179.977 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -120.07 143.36 16.71 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.518 1.136 . . . . 0.0 110.995 -179.976 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -134.21 126.19 29.38 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.493 0.761 . . . . 0.0 110.028 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 32.6 t -82.52 -27.35 31.78 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.54 1.15 . . . . 0.0 110.011 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 64.0 160.87 0.39 Allowed Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.514 1.134 . . . . 0.0 110.954 179.973 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 12.6 m -101.21 107.93 52.58 Favored Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.464 0.743 . . . . 0.0 109.999 -179.946 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 177.73 8.18 Favored 'Trans proline' 0 C--N 1.359 1.117 0 O-C-N 124.476 1.777 . . . . 0.0 110.981 -179.97 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 134.01 87.78 0.3 Allowed Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.471 1.107 . . . . 0.0 110.997 179.958 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 15.9 p30 -159.74 149.68 18.52 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.496 0.763 . . . . 0.0 109.296 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 7.9 mtp85 -159.34 90.5 0.96 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.447 1.092 . . . . 0.0 110.301 -179.946 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -154.45 160.43 41.61 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.525 1.141 . . . . 0.0 110.286 -180.0 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 6.0 m-20 -142.93 -57.64 0.43 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.561 1.163 . . . . 0.0 109.306 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 7.9 mttt -72.79 170.92 13.63 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.446 1.091 . . . . 0.0 109.322 179.972 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 17.0 mt-10 45.29 90.03 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.556 1.16 . . . . 0.0 110.249 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 17' ' ' LYS . . . . . 0.535 ' HE3' HD11 ' A' ' 95' ' ' ILE . 0.1 OUTLIER -110.25 149.64 29.85 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.521 1.138 . . . . 0.0 109.275 179.99 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -101.99 119.71 39.24 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.479 1.112 . . . . 0.0 109.262 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -120.9 117.32 52.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.521 1.138 . . . . 0.0 109.261 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 20' ' ' PHE . . . . . 0.575 ' CE2' ' OG1' ' A' ' 92' ' ' THR . 0.1 OUTLIER -96.35 114.19 25.84 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.497 1.123 . . . . 0.0 110.998 179.99 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 21' ' ' ILE . . . . . 0.517 HG13 HD12 ' A' ' 93' ' ' ILE . 8.6 mm -96.83 123.26 49.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.51 1.131 . . . . 0.0 109.28 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 22.4 t -111.16 123.74 50.8 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.522 1.139 . . . . 0.0 109.976 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.458 HD11 ' H ' ' A' ' 29' ' ' LEU . 2.9 mm? -98.67 66.96 1.7 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.464 1.102 . . . . 0.0 109.266 -179.974 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 2.5 m -134.36 168.65 23.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.51 1.131 . . . . 0.0 109.306 179.977 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 45.29 -165.82 0.05 OUTLIER Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.49 1.119 . . . . 0.0 111.024 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 28.1 t -73.28 84.35 1.41 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.522 0.777 . . . . 0.0 110.038 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 27' ' ' ARG . . . . . 0.746 ' CG ' HD22 ' A' ' 53' ' ' LEU . 1.2 tpp180 -178.83 111.37 0.06 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.517 1.136 . . . . 0.0 110.302 -179.945 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -130.24 133.51 7.42 Favored Glycine 0 CA--C 1.531 1.051 0 O-C-N 124.544 1.152 . . . . 0.0 110.994 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 29' ' ' LEU . . . . . 0.543 HD11 ' SG ' ' A' ' 31' ' ' CYS . 2.2 tp -40.9 146.78 0.14 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.521 0.777 . . . . 0.0 109.332 179.965 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 30' ' ' GLY . . . . . 0.413 ' N ' ' HB2' ' A' ' 52' ' ' SER . . . -146.47 30.78 1.56 Allowed Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.471 1.107 . . . . 0.0 111.005 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 31' ' ' CYS . . . . . 0.543 ' SG ' HD11 ' A' ' 29' ' ' LEU . 21.8 p -110.67 149.21 30.78 Favored 'General case' 0 C--N 1.325 -0.461 0 N-CA-C 108.225 -1.028 . . . . 0.0 108.225 -179.916 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -100.36 140.42 34.63 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.464 1.102 . . . . 0.0 109.978 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 9.2 pt -113.66 145.66 19.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.483 1.114 . . . . 0.0 109.308 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -125.72 166.83 16.06 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.502 1.126 . . . . 0.0 110.038 179.973 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 16.7 p -109.14 126.77 53.58 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.5 1.125 . . . . 0.0 110.012 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -76.13 168.79 54.83 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.473 1.108 . . . . 0.0 110.983 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.04 -172.92 1.39 Allowed 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.51 1.795 . . . . 0.0 111.017 179.966 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 38' ' ' ILE . . . . . 0.422 HG22 ' H ' ' A' ' 38' ' ' ILE . 5.3 tt -71.65 -29.53 34.79 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.53 1.144 . . . . 0.0 109.307 -179.975 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 10.8 pt20 -77.44 -31.82 54.14 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.48 1.113 . . . . 0.0 110.282 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 40' ' ' LYS . . . . . 0.54 ' HD3' HD11 ' A' ' 103' ' ' LEU . 25.3 tttp -137.79 62.43 34.44 Favored Pre-proline 0 C--N 1.326 -0.454 0 O-C-N 124.467 1.105 . . . . 0.0 109.346 179.949 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 41' ' ' PRO . . . . . 0.453 ' HD3' ' N ' ' A' ' 40' ' ' LYS . 18.4 Cg_endo -74.96 144.97 31.05 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.508 1.794 . . . . 0.0 110.999 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 156.69 -168.19 33.77 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.443 1.089 . . . . 0.0 111.022 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 43' ' ' ILE . . . . . 0.49 HG22 HD12 ' A' ' 65' ' ' ILE . 6.9 mm -118.51 115.24 47.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.499 0.764 . . . . 0.0 109.294 179.96 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 44' ' ' PHE . . . . . 0.571 ' CD2' ' HB2' ' A' ' 64' ' ' GLN . 2.2 m-85 -121.65 147.59 45.67 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.45 1.094 . . . . 0.0 111.012 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 19.3 mt -76.41 140.3 17.45 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.462 1.101 . . . . 0.0 109.318 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -105.49 -38.37 6.48 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.497 1.123 . . . . 0.0 109.996 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 47' ' ' HIS . . . . . 0.41 ' O ' ' HA ' ' A' ' 31' ' ' CYS . 60.4 t-80 -153.64 157.39 39.55 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.477 1.111 . . . . 0.0 109.595 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 48' ' ' VAL . . . . . 0.462 HG22 ' HB3' ' A' ' 31' ' ' CYS . 52.7 t -134.38 124.55 45.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.519 1.137 . . . . 0.0 109.317 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 29.0 mtpt -72.69 149.92 90.77 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.463 1.102 . . . . 0.0 109.318 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 111.59 3.36 Favored 'Trans proline' 0 C--N 1.359 1.124 0 O-C-N 124.453 1.765 . . . . 0.0 110.962 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 91.41 32.07 9.07 Favored Glycine 0 CA--C 1.531 1.048 0 O-C-N 124.542 1.151 . . . . 0.0 110.992 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 52' ' ' SER . . . . . 0.618 ' H ' ' HB3' ' A' ' 55' ' ' ALA . 34.7 p -96.03 174.58 6.85 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.56 0.8 . . . . 0.0 110.007 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 53' ' ' LEU . . . . . 0.746 HD22 ' CG ' ' A' ' 27' ' ' ARG . 0.1 OUTLIER -65.07 -19.99 66.26 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.535 1.147 . . . . 0.0 109.256 -179.964 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 54' ' ' SER . . . . . 0.54 ' O ' HG22 ' A' ' 57' ' ' VAL . 0.1 OUTLIER -94.55 -32.62 13.38 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.458 1.099 . . . . 0.0 110.01 -179.965 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 55' ' ' ALA . . . . . 0.618 ' HB3' ' H ' ' A' ' 52' ' ' SER . . . -70.11 -35.5 74.18 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.507 1.129 . . . . 0.0 109.26 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 56' ' ' GLU . . . . . 0.639 ' CD ' HD13 ' A' ' 53' ' ' LEU . 6.4 pt-20 -59.79 -37.03 77.95 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.48 1.113 . . . . 0.0 110.312 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 57' ' ' VAL . . . . . 0.54 HG22 ' O ' ' A' ' 54' ' ' SER . 29.7 m -81.83 -21.35 10.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.509 1.131 . . . . 0.0 109.312 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 94.82 28.6 9.97 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.518 1.136 . . . . 0.0 111.041 -179.954 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 59' ' ' LEU . . . . . 0.485 ' HG ' HG23 ' A' ' 57' ' ' VAL . 14.9 mt -69.22 141.42 54.48 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.486 0.756 . . . . 0.0 109.298 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 18.5 mt-10 -132.71 169.4 16.73 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.487 1.117 . . . . 0.0 110.323 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 80.5 mt -62.97 132.18 28.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.49 1.119 . . . . 0.0 109.293 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 116.64 -31.75 5.81 Favored Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.462 1.101 . . . . 0.0 111.032 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 63' ' ' ASP . . . . . 0.429 ' CG ' HD13 ' A' ' 95' ' ' ILE . 75.3 m-20 -55.53 98.31 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.497 0.763 . . . . 0.0 109.308 179.93 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 64' ' ' GLN . . . . . 0.571 ' HB2' ' CD2' ' A' ' 44' ' ' PHE . 52.1 tt0 -83.13 130.51 35.12 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.49 1.119 . . . . 0.0 110.291 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 65' ' ' ILE . . . . . 0.731 HG23 HG23 ' A' ' 93' ' ' ILE . 19.0 mt -83.89 108.4 16.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.466 1.104 . . . . 0.0 109.289 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 66' ' ' VAL . . . . . 0.656 HG22 ' O ' ' A' ' 94' ' ' SER . 9.3 m -98.1 -24.66 4.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.493 1.121 . . . . 0.0 109.32 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 67' ' ' GLU . . . . . 0.429 ' HG2' ' N ' ' A' ' 68' ' ' VAL . 29.7 tt0 -150.24 152.97 35.4 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.481 1.113 . . . . 0.0 110.264 -179.974 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 68' ' ' VAL . . . . . 0.649 ' O ' HG23 ' A' ' 71' ' ' VAL . 98.9 t -152.26 112.09 0.41 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.482 1.114 . . . . 0.0 109.308 179.957 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 69' ' ' ASN . . . . . 0.813 HD22 HD23 ' A' ' 91' ' ' LEU . 1.1 t-20 58.15 31.47 20.79 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.533 1.145 . . . . 0.0 109.329 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 81.22 22.42 60.82 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.477 1.111 . . . . 0.0 110.995 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 71' ' ' VAL . . . . . 0.649 HG23 ' O ' ' A' ' 68' ' ' VAL . 60.8 t -99.07 158.66 3.56 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.537 0.787 . . . . 0.0 109.297 179.972 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 1.9 t70 -93.43 86.66 5.32 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.536 1.148 . . . . 0.0 109.351 179.968 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 73' ' ' PHE . . . . . 0.913 ' CD1' HD12 ' A' ' 76' ' ' LEU . 4.3 m-85 -93.41 16.99 12.14 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.511 1.132 . . . . 0.0 110.987 -179.977 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -88.6 -1.79 58.25 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.53 1.144 . . . . 0.0 110.03 179.96 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 7.2 p-10 -154.62 24.35 0.46 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.532 1.145 . . . . 0.0 109.305 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 76' ' ' LEU . . . . . 0.913 HD12 ' CD1' ' A' ' 73' ' ' PHE . 7.0 mt -78.45 -167.99 1.23 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.525 1.141 . . . . 0.0 109.255 -179.967 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 16.8 t70 -134.65 175.08 9.87 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.548 1.155 . . . . 0.0 109.262 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 78' ' ' HIS . . . . . . . . . . . . . 66.1 t-80 -73.27 -6.87 48.82 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.49 1.119 . . . . 0.0 109.626 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 15.6 mmtt -108.21 -37.57 5.99 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.482 1.114 . . . . 0.0 109.309 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 80' ' ' GLU . . . . . 0.708 ' CB ' HD22 ' A' ' 76' ' ' LEU . 2.3 mm-40 -79.56 -36.31 38.47 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.536 1.148 . . . . 0.0 110.279 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 81' ' ' ALA . . . . . 0.5 ' HA ' HD13 ' A' ' 76' ' ' LEU . . . -72.45 -29.01 63.29 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.483 1.114 . . . . 0.0 109.304 -179.968 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 82' ' ' VAL . . . . . 0.747 HG12 ' CE ' ' A' ' 86' ' ' LYS . 18.0 t -80.84 -45.14 21.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.474 1.109 . . . . 0.0 109.34 179.961 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 83' ' ' ASN . . . . . 0.411 ' O ' ' N ' ' A' ' 87' ' ' SER . 43.4 t30 -59.88 -46.24 89.96 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.481 1.113 . . . . 0.0 109.306 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 84' ' ' VAL . . . . . 0.617 HG11 ' HE1' ' A' ' 73' ' ' PHE . 62.8 t -67.27 -34.44 69.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.471 1.107 . . . . 0.0 109.272 -179.951 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 85' ' ' LEU . . . . . 0.437 HD12 ' O ' ' A' ' 81' ' ' ALA . 23.6 mt -73.02 -34.9 66.63 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.506 1.129 . . . . 0.0 109.337 179.979 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 86' ' ' LYS . . . . . 0.747 ' CE ' HG12 ' A' ' 82' ' ' VAL . 0.0 OUTLIER -90.64 -3.74 57.3 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.491 1.119 . . . . 0.0 109.316 179.966 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 87' ' ' SER . . . . . 0.411 ' N ' ' O ' ' A' ' 83' ' ' ASN . 36.8 t -56.78 -66.05 0.51 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.477 1.11 . . . . 0.0 109.981 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 88' ' ' SER . . . . . 0.606 ' O ' HD11 ' A' ' 91' ' ' LEU . 0.3 OUTLIER -116.63 171.58 7.78 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.506 1.129 . . . . 0.0 109.981 -179.97 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 4.8 mmp_? -78.53 -60.71 2.26 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.465 1.103 . . . . 0.0 110.331 179.967 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 5.6 p -87.03 123.17 31.83 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.491 1.12 . . . . 0.0 110.028 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 91' ' ' LEU . . . . . 0.813 HD23 HD22 ' A' ' 69' ' ' ASN . 1.1 mt -140.71 144.89 35.85 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.491 1.119 . . . . 0.0 109.26 -179.964 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 92' ' ' THR . . . . . 0.575 ' OG1' ' CE2' ' A' ' 20' ' ' PHE . 9.6 m -100.81 101.58 12.46 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.481 1.113 . . . . 0.0 110.437 179.954 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 93' ' ' ILE . . . . . 0.731 HG23 HG23 ' A' ' 65' ' ' ILE . 14.2 mt -89.66 135.07 27.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.5 1.125 . . . . 0.0 109.265 -179.925 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 94' ' ' SER . . . . . 0.656 ' O ' HG22 ' A' ' 66' ' ' VAL . 0.3 OUTLIER -114.35 100.96 8.71 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.522 1.139 . . . . 0.0 109.975 -179.979 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 95' ' ' ILE . . . . . 0.535 HD11 ' HE3' ' A' ' 17' ' ' LYS . 1.2 pt -100.4 167.3 2.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.482 1.114 . . . . 0.0 109.285 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 96' ' ' VAL . . . . . 0.931 ' HB ' ' HB2' ' A' ' 99' ' ' ALA . 83.4 t -109.48 33.51 0.8 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.542 1.151 . . . . 0.0 109.272 -179.98 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 97' ' ' ALA . . . . . 0.423 ' H ' HD12 ' A' ' 95' ' ' ILE . . . 44.33 94.02 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.467 1.104 . . . . 0.0 109.286 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 98' ' ' ALA . . . . . 0.686 ' HB1' ' HG3' ' A' ' 101' ' ' ARG . . . 48.59 57.94 5.77 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.509 1.131 . . . . 0.0 109.318 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 99' ' ' ALA . . . . . 0.931 ' HB2' ' HB ' ' A' ' 96' ' ' VAL . . . -62.32 -63.86 1.11 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.434 1.084 . . . . 0.0 109.296 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . -106.96 59.15 0.39 Allowed Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.505 1.128 . . . . 0.0 110.971 -179.978 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 101' ' ' ARG . . . . . 0.686 ' HG3' ' HB1' ' A' ' 98' ' ' ALA . 0.1 OUTLIER -71.98 -21.93 61.51 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.523 0.778 . . . . 0.0 110.34 180.0 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -75.57 -17.86 59.93 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.512 1.132 . . . . 0.0 110.281 179.978 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 103' ' ' LEU . . . . . 0.54 HD11 ' HD3' ' A' ' 40' ' ' LYS . 26.2 mt -66.82 -14.61 62.86 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.522 1.139 . . . . 0.0 109.276 -179.971 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 104' ' ' PHE . . . . . . . . . . . . . 82.0 m-85 -124.55 -50.34 1.75 Allowed 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.488 1.118 . . . . 0.0 111.002 -179.959 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 105' ' ' MET . . . . . 0.425 ' O ' ' N ' ' A' ' 107' ' ' ASP . 21.8 mmt -45.03 -51.47 9.96 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.524 1.14 . . . . 0.0 111.045 179.955 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 19.9 m -43.47 96.61 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.529 1.143 . . . . 0.0 110.421 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 107' ' ' ASP . . . . . 0.425 ' N ' ' O ' ' A' ' 105' ' ' MET . 1.4 t0 73.37 141.21 0.06 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.53 1.144 . . . . 0.0 109.295 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -121.11 94.01 4.2 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.473 1.108 . . . . 0.0 110.274 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 44.2 t -78.82 -59.63 2.7 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.537 1.148 . . . . 0.0 109.976 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 84.8 88.17 0.88 Allowed Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.535 1.147 . . . . 0.0 110.983 180.0 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 111' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 175.4 11.29 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.476 1.777 . . . . 0.0 110.962 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 13.6 t -115.31 -57.65 2.22 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.536 1.147 . . . . 0.0 110.005 179.973 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -141.72 105.79 4.77 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.535 1.147 . . . . 0.0 109.962 179.979 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.986 0 O-C-N 124.542 1.151 . . . . 0.0 111.02 179.971 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.005 0 N-CA-C 111.014 -0.834 . . . . 0.0 111.014 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 18.8 t -151.22 116.15 5.24 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.524 0.779 . . . . 0.0 109.965 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 3.8 t -149.66 152.03 34.7 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.53 1.144 . . . . 0.0 109.984 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 168.72 169.68 32.44 Favored Glycine 0 CA--C 1.529 0.964 0 O-C-N 124.474 1.109 . . . . 0.0 111.026 -179.978 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 73.8 m 64.33 107.07 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.443 0.731 . . . . 0.0 109.944 179.944 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 3.5 m -100.4 -23.31 14.78 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.477 1.111 . . . . 0.0 110.039 179.964 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 64.44 105.14 0.01 OUTLIER Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.509 1.13 . . . . 0.0 111.01 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -136.3 159.4 70.93 Favored Pre-proline 0 C--N 1.324 -0.503 0 O-C-N 124.515 0.774 . . . . 0.0 109.984 179.982 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 -177.48 3.5 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.511 1.795 . . . . 0.0 111.036 179.97 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -122.61 102.67 0.79 Allowed Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.511 1.132 . . . . 0.0 110.986 -179.974 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 62.9 t-20 -177.06 111.68 0.08 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.545 0.791 . . . . 0.0 109.28 179.971 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 6.1 ttt180 -169.51 152.35 4.73 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.502 1.126 . . . . 0.0 110.299 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER 60.76 87.94 0.09 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.518 1.136 . . . . 0.0 110.294 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 1.6 m-20 170.81 -60.26 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.484 1.115 . . . . 0.0 109.309 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 12.7 mttt -112.01 171.03 7.74 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.471 1.107 . . . . 0.0 109.266 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 19.7 mt-10 45.83 90.5 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.511 1.132 . . . . 0.0 110.311 180.0 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 17' ' ' LYS . . . . . 0.895 ' CE ' HD11 ' A' ' 95' ' ' ILE . 0.0 OUTLIER -112.21 148.4 34.15 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.478 1.111 . . . . 0.0 109.284 -179.981 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -98.19 121.07 39.67 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.505 1.128 . . . . 0.0 109.288 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 19' ' ' VAL . . . . . 0.441 ' O ' ' N ' ' A' ' 93' ' ' ILE . 0.6 OUTLIER -126.13 127.06 70.57 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.562 1.164 . . . . 0.0 109.26 -179.985 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 20' ' ' PHE . . . . . 0.598 ' CE2' ' OG1' ' A' ' 92' ' ' THR . 0.1 OUTLIER -106.53 115.68 30.62 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.555 1.16 . . . . 0.0 111.006 179.971 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 21' ' ' ILE . . . . . 0.507 ' CG1' HD12 ' A' ' 93' ' ' ILE . 17.9 mm -95.36 107.87 20.16 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.522 1.139 . . . . 0.0 109.316 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 22' ' ' SER . . . . . 0.488 ' O ' HD11 ' A' ' 53' ' ' LEU . 3.5 m -101.6 118.66 37.4 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.49 1.119 . . . . 0.0 109.968 -179.95 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 2.1 mp -95.41 77.04 3.37 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.484 1.115 . . . . 0.0 109.314 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -154.41 155.98 5.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.496 1.123 . . . . 0.0 109.283 -179.971 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 77.14 57.01 3.81 Favored Glycine 0 CA--C 1.529 0.937 0 O-C-N 124.456 1.098 . . . . 0.0 111.05 -179.975 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 46.66 88.72 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.408 0.71 . . . . 0.0 110.002 -179.981 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 27' ' ' ARG . . . . . 0.425 ' HB3' ' CD2' ' A' ' 53' ' ' LEU . 0.0 OUTLIER -173.89 169.98 3.99 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.432 1.083 . . . . 0.0 110.27 -179.999 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -172.97 133.12 2.53 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.491 1.12 . . . . 0.0 111.008 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 29' ' ' LEU . . . . . 0.545 HD21 ' HG ' ' A' ' 31' ' ' CYS . 0.9 OUTLIER -40.3 135.47 1.44 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.544 0.791 . . . . 0.0 109.291 -179.984 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -132.84 24.59 3.82 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.512 1.133 . . . . 0.0 110.971 -179.974 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 31' ' ' CYS . . . . . 0.545 ' HG ' HD21 ' A' ' 29' ' ' LEU . 23.9 p -109.38 146.48 34.36 Favored 'General case' 0 C--N 1.324 -0.514 0 N-CA-C 108.308 -0.997 . . . . 0.0 108.308 -179.977 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -100.97 138.42 38.03 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.548 1.155 . . . . 0.0 109.999 180.0 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 33' ' ' ILE . . . . . 0.535 HD11 HG23 ' A' ' 82' ' ' VAL . 8.6 pt -110.45 145.43 16.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.512 1.132 . . . . 0.0 109.339 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 60.4 p -123.36 157.73 32.66 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.467 1.105 . . . . 0.0 109.986 -179.982 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 32.9 p -97.28 128.42 44.11 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.504 1.127 . . . . 0.0 110.013 179.964 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -78.59 167.46 53.02 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.507 1.129 . . . . 0.0 110.995 179.973 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 -170.0 0.71 Allowed 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.537 1.809 . . . . 0.0 111.016 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 38' ' ' ILE . . . . . 0.417 HG22 ' H ' ' A' ' 38' ' ' ILE . 0.8 OUTLIER -74.4 -30.49 26.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.526 1.141 . . . . 0.0 109.33 179.98 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 3.0 pt20 -78.15 -29.09 48.51 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.499 1.125 . . . . 0.0 110.288 -179.979 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 40' ' ' LYS . . . . . 0.604 ' HD3' HD11 ' A' ' 103' ' ' LEU . 26.9 tttp -137.1 62.01 36.87 Favored Pre-proline 0 C--N 1.324 -0.511 0 O-C-N 124.529 1.143 . . . . 0.0 109.32 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 41' ' ' PRO . . . . . 0.469 ' HD3' ' N ' ' A' ' 40' ' ' LYS . 18.3 Cg_endo -74.91 145.71 32.15 Favored 'Trans proline' 0 C--N 1.361 1.188 0 O-C-N 124.467 1.772 . . . . 0.0 111.013 179.975 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 153.08 -155.79 26.34 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.496 1.122 . . . . 0.0 111.011 179.943 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 43' ' ' ILE . . . . . 0.522 HG22 HD12 ' A' ' 65' ' ' ILE . 10.9 mm -129.14 118.69 47.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.559 0.8 . . . . 0.0 109.31 180.0 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 44' ' ' PHE . . . . . 0.567 ' CD2' ' HB2' ' A' ' 64' ' ' GLN . 1.8 m-85 -124.5 146.11 49.16 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.523 1.139 . . . . 0.0 111.011 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 13.4 mt -74.64 137.57 22.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.52 1.137 . . . . 0.0 109.278 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 1.2 p -105.22 -36.91 7.08 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.507 1.129 . . . . 0.0 110.014 179.968 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 58.6 t-80 -153.94 153.17 31.54 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.52 1.138 . . . . 0.0 109.559 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 48' ' ' VAL . . . . . 0.488 HG22 ' HB3' ' A' ' 31' ' ' CYS . 22.3 t -132.56 127.93 57.1 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.514 1.134 . . . . 0.0 109.274 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 12.8 mtpt -73.02 154.86 90.74 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.534 1.146 . . . . 0.0 109.263 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.94 123.21 7.75 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.5 1.789 . . . . 0.0 111.027 179.939 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 71.23 28.63 69.73 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.534 1.146 . . . . 0.0 110.99 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 52' ' ' SER . . . . . 0.512 ' H ' ' HB3' ' A' ' 55' ' ' ALA . 87.1 p -83.58 -166.99 1.53 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.485 0.756 . . . . 0.0 110.029 179.984 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 53' ' ' LEU . . . . . 0.667 HD13 ' CD ' ' A' ' 56' ' ' GLU . 0.0 OUTLIER -77.96 -23.85 48.32 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.55 1.156 . . . . 0.0 109.299 179.987 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 54' ' ' SER . . . . . 0.42 ' O ' HG22 ' A' ' 57' ' ' VAL . 0.0 OUTLIER -94.23 -26.59 16.58 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.492 1.12 . . . . 0.0 110.013 179.979 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 55' ' ' ALA . . . . . 0.512 ' HB3' ' H ' ' A' ' 52' ' ' SER . . . -75.01 -27.55 60.15 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.504 1.127 . . . . 0.0 109.277 -179.984 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 56' ' ' GLU . . . . . 0.667 ' CD ' HD13 ' A' ' 53' ' ' LEU . 6.4 pt-20 -70.62 -36.77 73.65 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.468 1.105 . . . . 0.0 110.348 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 57' ' ' VAL . . . . . 0.495 HG13 ' HG3' ' A' ' 56' ' ' GLU . 18.1 m -82.01 -23.59 9.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.528 1.142 . . . . 0.0 109.264 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 99.61 20.28 17.64 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.536 1.148 . . . . 0.0 111.018 -179.96 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 59' ' ' LEU . . . . . 0.41 ' HG ' ' CG2' ' A' ' 57' ' ' VAL . 13.7 mt -69.62 137.81 52.57 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.492 0.76 . . . . 0.0 109.274 179.991 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 24.7 mt-10 -133.66 173.13 11.85 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.474 1.109 . . . . 0.0 110.315 179.966 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 62.0 mt -59.6 133.96 24.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.54 1.15 . . . . 0.0 109.268 -179.967 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 62' ' ' GLY . . . . . 0.423 ' HA3' ' CG ' ' A' ' 101' ' ' ARG . . . 114.18 -34.08 5.12 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.512 1.133 . . . . 0.0 111.036 180.0 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 63' ' ' ASP . . . . . 0.429 ' CG ' HD13 ' A' ' 95' ' ' ILE . 75.5 m-20 -56.44 97.39 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.518 0.776 . . . . 0.0 109.29 179.945 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 64' ' ' GLN . . . . . 0.582 ' HB3' ' HB3' ' A' ' 99' ' ' ALA . 42.6 tt0 -83.32 134.0 34.94 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.529 1.143 . . . . 0.0 110.325 179.97 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 65' ' ' ILE . . . . . 0.778 HG23 HG23 ' A' ' 93' ' ' ILE . 11.7 mt -87.73 110.27 20.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.552 1.157 . . . . 0.0 109.255 -179.955 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 66' ' ' VAL . . . . . 0.746 HG22 ' O ' ' A' ' 94' ' ' SER . 17.9 m -99.72 -22.2 4.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.452 1.095 . . . . 0.0 109.291 179.974 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 67' ' ' GLU . . . . . 0.433 ' HG2' ' N ' ' A' ' 68' ' ' VAL . 30.8 tt0 -154.02 152.54 30.64 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.459 1.099 . . . . 0.0 110.293 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 68' ' ' VAL . . . . . 0.655 ' O ' HG23 ' A' ' 71' ' ' VAL . 94.3 t -151.44 117.54 0.67 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.535 1.147 . . . . 0.0 109.298 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 69' ' ' ASN . . . . . 0.9 ' ND2' HD23 ' A' ' 91' ' ' LEU . 1.2 t-20 56.41 20.86 5.04 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.544 1.153 . . . . 0.0 109.294 179.985 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 92.85 11.55 58.87 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.482 1.113 . . . . 0.0 111.047 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 71' ' ' VAL . . . . . 0.655 HG23 ' O ' ' A' ' 68' ' ' VAL . 54.6 t -87.37 154.34 3.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.491 0.759 . . . . 0.0 109.335 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -89.9 91.1 8.46 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.517 1.136 . . . . 0.0 109.269 -179.983 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 73' ' ' PHE . . . . . 0.793 ' CG ' HD12 ' A' ' 76' ' ' LEU . 4.6 m-85 -94.84 12.29 28.6 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.509 1.13 . . . . 0.0 111.012 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -73.65 -25.46 60.29 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.535 1.147 . . . . 0.0 110.007 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 55.7 m-80 -142.22 50.9 1.49 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.526 1.141 . . . . 0.0 109.32 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 76' ' ' LEU . . . . . 0.793 HD12 ' CG ' ' A' ' 73' ' ' PHE . 6.2 mt -94.49 -166.65 1.52 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.503 1.127 . . . . 0.0 109.309 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 21.0 t70 -132.06 170.48 14.89 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.476 1.11 . . . . 0.0 109.32 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 78' ' ' HIS . . . . . . . . . . . . . 65.2 t-80 -71.99 -6.83 44.95 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.525 1.141 . . . . 0.0 109.623 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 8.1 mmtt -108.12 -36.03 6.42 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.5 1.125 . . . . 0.0 109.287 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 80' ' ' GLU . . . . . 0.701 ' CB ' HD22 ' A' ' 76' ' ' LEU . 2.8 mm-40 -79.67 -38.75 32.9 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.528 1.142 . . . . 0.0 110.296 179.968 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 81' ' ' ALA . . . . . 0.436 ' HA ' HD13 ' A' ' 76' ' ' LEU . . . -70.31 -25.12 63.17 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.477 1.111 . . . . 0.0 109.332 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 82' ' ' VAL . . . . . 0.585 HG12 ' HD2' ' A' ' 86' ' ' LYS . 24.6 t -86.55 -40.09 13.9 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.466 1.104 . . . . 0.0 109.303 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 83' ' ' ASN . . . . . 0.448 ' HA ' ' CD ' ' A' ' 86' ' ' LYS . 12.1 t30 -64.91 -43.72 91.93 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.482 1.113 . . . . 0.0 109.256 -179.98 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 84' ' ' VAL . . . . . 0.596 HG11 ' HE1' ' A' ' 73' ' ' PHE . 77.0 t -70.86 -27.78 31.49 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.544 1.152 . . . . 0.0 109.334 179.958 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 16.9 mt -80.97 -37.13 29.85 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.415 1.072 . . . . 0.0 109.302 179.978 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 86' ' ' LYS . . . . . 0.585 ' HD2' HG12 ' A' ' 82' ' ' VAL . 0.0 OUTLIER -89.46 -1.36 58.02 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.514 1.134 . . . . 0.0 109.281 -179.993 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -59.39 -65.77 0.62 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.543 1.152 . . . . 0.0 110.0 -179.978 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 88' ' ' SER . . . . . 0.688 ' O ' HD11 ' A' ' 91' ' ' LEU . 0.3 OUTLIER -119.48 172.16 7.84 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.528 1.142 . . . . 0.0 110.005 179.969 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 16.9 mmt180 -81.62 -60.47 2.24 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.567 1.167 . . . . 0.0 110.306 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -82.86 115.21 21.64 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.469 1.106 . . . . 0.0 110.024 179.969 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 91' ' ' LEU . . . . . 0.9 HD23 ' ND2' ' A' ' 69' ' ' ASN . 1.2 mt -138.73 145.16 39.93 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.517 1.135 . . . . 0.0 109.316 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 92' ' ' THR . . . . . 0.598 ' OG1' ' CE2' ' A' ' 20' ' ' PHE . 31.9 m -101.5 100.98 11.49 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.512 1.133 . . . . 0.0 110.389 -179.972 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 93' ' ' ILE . . . . . 0.778 HG23 HG23 ' A' ' 65' ' ' ILE . 13.5 mt -89.51 135.01 27.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.462 1.101 . . . . 0.0 109.36 179.977 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 94' ' ' SER . . . . . 0.746 ' O ' HG22 ' A' ' 66' ' ' VAL . 0.4 OUTLIER -113.82 99.05 7.4 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.475 1.109 . . . . 0.0 110.019 -179.972 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 95' ' ' ILE . . . . . 0.895 HD11 ' CE ' ' A' ' 17' ' ' LYS . 1.3 pt -100.4 169.77 1.62 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.509 1.13 . . . . 0.0 109.283 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 96' ' ' VAL . . . . . 0.876 ' HB ' ' HB2' ' A' ' 99' ' ' ALA . 78.3 t -109.7 32.74 0.91 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.521 1.138 . . . . 0.0 109.303 179.98 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . 45.21 93.79 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.482 1.114 . . . . 0.0 109.311 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 98' ' ' ALA . . . . . 0.711 ' HB1' ' HG3' ' A' ' 101' ' ' ARG . . . 49.55 56.79 7.31 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.52 1.138 . . . . 0.0 109.286 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 99' ' ' ALA . . . . . 0.876 ' HB2' ' HB ' ' A' ' 96' ' ' VAL . . . -60.34 -69.85 0.2 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.519 1.137 . . . . 0.0 109.33 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . -101.52 57.91 0.66 Allowed Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.502 1.126 . . . . 0.0 110.987 179.972 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 101' ' ' ARG . . . . . 0.711 ' HG3' ' HB1' ' A' ' 98' ' ' ALA . 0.0 OUTLIER -70.0 -25.48 63.62 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.484 0.755 . . . . 0.0 110.269 -179.995 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -70.33 -21.53 62.9 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.488 1.118 . . . . 0.0 110.329 179.965 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 103' ' ' LEU . . . . . 0.604 HD11 ' HD3' ' A' ' 40' ' ' LYS . 60.5 mt -61.22 -21.36 63.79 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.48 1.112 . . . . 0.0 109.338 -179.983 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 104' ' ' PHE . . . . . . . . . . . . . 78.4 m-85 -119.43 59.28 0.86 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.461 1.1 . . . . 0.0 110.987 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 105' ' ' MET . . . . . . . . . . . . . 0.9 OUTLIER -95.61 82.84 3.67 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.451 1.094 . . . . 0.0 111.031 179.966 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 48.7 m -155.71 121.64 5.05 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.472 1.108 . . . . 0.0 110.417 -179.975 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 17.2 p-10 -69.3 169.66 11.8 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.561 1.163 . . . . 0.0 109.318 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 6.7 ptm180 -123.73 157.29 34.28 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.477 1.11 . . . . 0.0 110.257 -179.959 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 4.3 t -119.67 -58.19 1.92 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.481 1.113 . . . . 0.0 110.022 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 137.04 88.49 0.22 Allowed Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.446 1.091 . . . . 0.0 110.997 179.977 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 111' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 -48.32 0.18 Allowed 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.522 1.801 . . . . 0.0 111.04 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -100.87 129.34 46.72 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.513 1.133 . . . . 0.0 109.991 179.975 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -124.7 140.04 53.3 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.452 1.095 . . . . 0.0 110.019 179.975 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.972 0 O-C-N 124.468 1.105 . . . . 0.0 111.021 179.985 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.05 0 N-CA-C 110.984 -0.846 . . . . 0.0 110.984 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -175.23 161.51 2.83 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.541 0.789 . . . . 0.0 110.033 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -168.75 159.48 9.82 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.46 1.1 . . . . 0.0 110.049 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 70.51 -163.18 53.27 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.488 1.118 . . . . 0.0 111.0 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 48.71 80.07 0.07 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.476 0.751 . . . . 0.0 109.99 -179.984 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -111.8 -25.43 9.47 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.519 1.137 . . . . 0.0 110.05 179.956 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 76.36 126.25 0.24 Allowed Glycine 0 CA--C 1.53 0.969 0 O-C-N 124.523 1.14 . . . . 0.0 111.005 -179.966 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -104.96 147.29 34.23 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.459 0.74 . . . . 0.0 109.978 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.05 148.53 35.21 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.506 1.793 . . . . 0.0 111.009 -179.966 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -140.95 47.24 0.87 Allowed Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.51 1.131 . . . . 0.0 110.962 -179.942 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 21.8 t-20 -173.2 138.16 0.72 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.474 0.749 . . . . 0.0 109.301 179.976 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -176.05 146.66 0.7 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.537 1.148 . . . . 0.0 110.335 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 3.1 mt-10 -161.34 151.81 17.76 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.523 1.139 . . . . 0.0 110.317 -180.0 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 10.9 m120 -97.72 -56.88 2.38 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.495 1.122 . . . . 0.0 109.294 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 3.5 mppt? -80.52 170.97 15.64 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.494 1.121 . . . . 0.0 109.293 -179.982 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 16' ' ' GLU . . . . . 0.497 ' HG3' HG22 ' A' ' 96' ' ' VAL . 17.6 mt-10 48.5 90.91 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.529 1.143 . . . . 0.0 110.298 -179.966 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -115.01 143.7 44.77 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.432 1.082 . . . . 0.0 109.276 -179.99 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -90.21 123.39 33.98 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.499 1.125 . . . . 0.0 109.254 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 2.4 m -126.56 127.74 70.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.545 1.153 . . . . 0.0 109.3 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 20' ' ' PHE . . . . . 0.455 ' CD1' ' O ' ' A' ' 91' ' ' LEU . 0.1 OUTLIER -105.58 117.79 34.92 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.507 1.129 . . . . 0.0 111.011 -179.969 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 21' ' ' ILE . . . . . 0.761 HG23 ' HG ' ' A' ' 53' ' ' LEU . 11.8 mm -107.86 108.09 24.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.5 1.125 . . . . 0.0 109.275 -179.966 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 26.2 t -104.45 118.69 37.23 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.509 1.13 . . . . 0.0 110.008 179.966 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.641 HD12 ' HA2' ' A' ' 28' ' ' GLY . 3.3 mm? -80.04 78.48 6.67 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.528 1.142 . . . . 0.0 109.319 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 3.0 m -136.74 162.49 34.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.466 1.104 . . . . 0.0 109.283 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 63.92 -153.59 47.46 Favored Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.51 1.131 . . . . 0.0 110.982 179.946 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 10.2 m -82.95 51.0 1.83 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.498 0.764 . . . . 0.0 110.012 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 14.9 mmt-85 -138.22 138.26 38.34 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.56 1.163 . . . . 0.0 110.28 -179.979 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 28' ' ' GLY . . . . . 0.641 ' HA2' HD12 ' A' ' 23' ' ' LEU . . . -150.15 38.93 0.89 Allowed Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.495 1.122 . . . . 0.0 111.013 179.967 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER 62.2 109.78 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.513 0.772 . . . . 0.0 109.319 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -106.87 10.15 40.71 Favored Glycine 0 CA--C 1.529 0.939 0 O-C-N 124.524 1.14 . . . . 0.0 111.022 179.96 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 29.7 p -102.93 148.12 26.07 Favored 'General case' 0 C--N 1.325 -0.468 0 N-CA-C 108.289 -1.004 . . . . 0.0 108.289 -179.964 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -104.34 139.21 39.64 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.483 1.115 . . . . 0.0 110.02 -179.961 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 33' ' ' ILE . . . . . 0.719 HD11 ' CG2' ' A' ' 82' ' ' VAL . 13.9 pt -107.43 147.12 12.83 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.504 1.127 . . . . 0.0 109.288 -179.983 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 51.8 m -139.19 145.55 39.44 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.483 1.114 . . . . 0.0 109.998 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 72.4 m -88.95 137.89 31.91 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.537 1.148 . . . . 0.0 109.981 -179.961 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -77.97 178.35 52.45 Favored Glycine 0 CA--C 1.529 0.953 0 O-C-N 124.494 1.121 . . . . 0.0 111.048 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 -170.85 0.84 Allowed 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.463 1.77 . . . . 0.0 111.031 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 5.1 tt -73.9 -29.87 26.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.521 1.138 . . . . 0.0 109.272 -179.979 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 16.5 pt20 -77.83 -30.94 51.31 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.468 1.105 . . . . 0.0 110.26 -179.951 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 40' ' ' LYS . . . . . 0.496 ' HG2' HD11 ' A' ' 103' ' ' LEU . 0.5 OUTLIER -136.64 62.01 39.76 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.557 1.161 . . . . 0.0 109.255 -179.964 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 41' ' ' PRO . . . . . 0.461 ' HD3' ' N ' ' A' ' 40' ' ' LYS . 18.4 Cg_endo -74.98 146.47 32.79 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.509 1.794 . . . . 0.0 111.025 179.954 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 156.09 -165.9 32.89 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.516 1.135 . . . . 0.0 110.992 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 43' ' ' ILE . . . . . 0.528 HG22 HD12 ' A' ' 65' ' ' ILE . 23.5 mm -117.29 111.5 35.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.511 0.771 . . . . 0.0 109.327 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 44' ' ' PHE . . . . . 0.578 ' CD2' ' HB2' ' A' ' 64' ' ' GLN . 1.5 m-85 -124.15 140.05 53.34 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.511 1.132 . . . . 0.0 111.016 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 45' ' ' ILE . . . . . 0.447 HG21 ' CG2' ' A' ' 48' ' ' VAL . 12.3 mt -67.32 138.11 23.44 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.529 1.143 . . . . 0.0 109.316 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -100.58 -37.42 8.79 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.483 1.114 . . . . 0.0 109.96 -179.956 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 65.3 t-80 -150.91 164.11 37.09 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.501 1.126 . . . . 0.0 109.571 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 48' ' ' VAL . . . . . 0.447 ' CG2' HG21 ' A' ' 45' ' ' ILE . 84.0 t -145.38 118.3 2.44 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.486 1.116 . . . . 0.0 109.306 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 12.2 mttt -67.59 156.31 89.12 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.538 1.149 . . . . 0.0 109.342 179.955 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.01 127.41 10.66 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.463 1.77 . . . . 0.0 111.011 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 65.23 19.3 66.08 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.52 1.138 . . . . 0.0 110.974 -179.982 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 18.1 p -65.89 -159.28 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.485 0.756 . . . . 0.0 109.99 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 53' ' ' LEU . . . . . 0.761 ' HG ' HG23 ' A' ' 21' ' ' ILE . 12.2 tp -87.26 -24.31 24.41 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.564 1.165 . . . . 0.0 109.308 179.959 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 54' ' ' SER . . . . . 0.604 ' O ' HG22 ' A' ' 57' ' ' VAL . 0.0 OUTLIER -95.15 -29.77 14.38 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.492 1.12 . . . . 0.0 109.98 -179.989 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -71.78 -17.35 62.18 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.508 1.13 . . . . 0.0 109.278 -179.977 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 56' ' ' GLU . . . . . 0.499 ' CG ' ' O ' ' A' ' 53' ' ' LEU . 1.9 pt-20 -80.06 -34.21 38.33 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.524 1.14 . . . . 0.0 110.322 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 57' ' ' VAL . . . . . 0.604 HG22 ' O ' ' A' ' 54' ' ' SER . 18.9 m -81.31 -22.11 10.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.497 1.123 . . . . 0.0 109.332 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 104.62 20.65 9.88 Favored Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.479 1.112 . . . . 0.0 111.066 -179.937 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 59' ' ' LEU . . . . . 0.511 HD23 ' OD2' ' A' ' 63' ' ' ASP . 20.7 mt -71.71 144.58 49.26 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.453 0.737 . . . . 0.0 109.315 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 36.1 mt-10 -140.22 173.16 11.79 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.523 1.139 . . . . 0.0 110.298 179.982 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 15.8 mt -64.01 125.84 21.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.499 1.125 . . . . 0.0 109.301 -179.946 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 62' ' ' GLY . . . . . 0.44 ' O ' ' N ' ' A' ' 64' ' ' GLN . . . 120.03 -38.58 2.72 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.489 1.118 . . . . 0.0 110.988 179.974 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 63' ' ' ASP . . . . . 0.511 ' OD2' HD23 ' A' ' 59' ' ' LEU . 73.2 m-20 -43.99 96.94 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.47 0.747 . . . . 0.0 109.331 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 64' ' ' GLN . . . . . 0.653 ' HB3' ' HB3' ' A' ' 99' ' ' ALA . 49.0 tt0 -83.25 120.36 25.72 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.489 1.118 . . . . 0.0 110.289 -179.968 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 65' ' ' ILE . . . . . 0.813 HG23 HG23 ' A' ' 93' ' ' ILE . 38.9 mt -74.51 107.95 5.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.544 1.152 . . . . 0.0 109.301 179.974 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 66' ' ' VAL . . . . . 0.754 HG22 ' O ' ' A' ' 94' ' ' SER . 15.7 m -96.46 -24.64 4.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.493 1.121 . . . . 0.0 109.296 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 67' ' ' GLU . . . . . 0.419 ' HA ' ' O ' ' A' ' 71' ' ' VAL . 30.4 tt0 -151.47 154.96 37.59 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.538 1.149 . . . . 0.0 110.243 -179.986 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 68' ' ' VAL . . . . . 0.695 ' O ' HG23 ' A' ' 71' ' ' VAL . 95.7 t -152.28 124.29 1.08 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.478 1.111 . . . . 0.0 109.308 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 69' ' ' ASN . . . . . 0.863 ' ND2' HD23 ' A' ' 91' ' ' LEU . 1.1 t-20 45.78 34.8 1.95 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.521 1.138 . . . . 0.0 109.332 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 75.23 34.61 50.98 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.529 1.143 . . . . 0.0 110.986 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 71' ' ' VAL . . . . . 0.695 HG23 ' O ' ' A' ' 68' ' ' VAL . 58.9 t -111.0 147.45 15.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.52 0.777 . . . . 0.0 109.292 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 1.7 t0 -81.88 86.99 6.41 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.539 1.149 . . . . 0.0 109.307 179.976 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 73' ' ' PHE . . . . . 0.821 ' CD1' HD12 ' A' ' 76' ' ' LEU . 3.8 m-85 -92.3 18.88 7.66 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.471 1.107 . . . . 0.0 111.006 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -73.78 -42.02 61.6 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.511 1.132 . . . . 0.0 109.99 -179.971 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -129.53 50.83 2.12 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.535 1.147 . . . . 0.0 109.258 -179.99 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 76' ' ' LEU . . . . . 0.821 HD12 ' CD1' ' A' ' 73' ' ' PHE . 5.9 mt -89.56 -166.3 1.56 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.522 1.139 . . . . 0.0 109.302 179.967 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 33.9 t70 -131.47 169.58 15.87 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.528 1.143 . . . . 0.0 109.278 -179.984 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 78' ' ' HIS . . . . . . . . . . . . . 58.8 t-80 -70.98 -7.02 43.2 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.464 1.102 . . . . 0.0 109.625 179.966 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -108.89 -37.53 5.83 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.498 1.124 . . . . 0.0 109.291 179.97 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 80' ' ' GLU . . . . . 0.712 ' CB ' HD22 ' A' ' 76' ' ' LEU . 2.3 mt-10 -77.1 -37.9 53.34 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.529 1.143 . . . . 0.0 110.291 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 81' ' ' ALA . . . . . 0.497 ' HA ' HD13 ' A' ' 76' ' ' LEU . . . -69.9 -27.7 65.01 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.496 1.123 . . . . 0.0 109.278 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 82' ' ' VAL . . . . . 0.856 HG12 ' CE ' ' A' ' 86' ' ' LYS . 45.4 t -88.1 -36.83 9.83 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.494 1.121 . . . . 0.0 109.301 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 41.2 t30 -64.71 -40.47 95.41 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.532 1.145 . . . . 0.0 109.334 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 84' ' ' VAL . . . . . 0.534 HG11 ' HE1' ' A' ' 73' ' ' PHE . 77.9 t -74.47 -32.83 31.33 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.497 1.123 . . . . 0.0 109.312 179.968 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 85' ' ' LEU . . . . . 0.524 ' CD2' HG11 ' A' ' 68' ' ' VAL . 18.7 mt -75.29 -38.03 60.56 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.44 1.087 . . . . 0.0 109.282 -179.977 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 86' ' ' LYS . . . . . 0.856 ' CE ' HG12 ' A' ' 82' ' ' VAL . 1.8 ptpt -86.06 -2.61 58.48 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.479 1.112 . . . . 0.0 109.301 -179.977 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 38.4 t -53.75 -68.48 0.17 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.478 1.111 . . . . 0.0 110.007 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -117.04 -173.51 2.41 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.537 1.148 . . . . 0.0 110.031 179.986 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 13.1 mmt85 -90.84 -53.38 4.42 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.491 1.119 . . . . 0.0 110.299 -179.965 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -88.84 113.56 24.51 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.471 1.107 . . . . 0.0 109.994 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 91' ' ' LEU . . . . . 0.863 HD23 ' ND2' ' A' ' 69' ' ' ASN . 1.0 OUTLIER -134.02 147.54 50.97 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.527 1.142 . . . . 0.0 109.307 179.996 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 15.9 m -106.96 101.03 10.49 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.499 1.125 . . . . 0.0 110.358 -179.971 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 93' ' ' ILE . . . . . 0.813 HG23 HG23 ' A' ' 65' ' ' ILE . 14.0 mt -89.51 135.13 26.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.459 1.1 . . . . 0.0 109.333 179.963 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 94' ' ' SER . . . . . 0.754 ' O ' HG22 ' A' ' 66' ' ' VAL . 0.3 OUTLIER -112.95 101.23 9.29 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.525 1.141 . . . . 0.0 110.035 179.988 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 95' ' ' ILE . . . . . 0.531 HD12 ' H ' ' A' ' 97' ' ' ALA . 1.1 pt -100.5 169.32 1.7 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.527 0 O-C-N 124.491 1.12 . . . . 0.0 109.293 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 96' ' ' VAL . . . . . 0.854 ' HB ' ' HB2' ' A' ' 99' ' ' ALA . 70.5 t -114.05 34.88 0.96 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.505 1.128 . . . . 0.0 109.319 179.974 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 97' ' ' ALA . . . . . 0.531 ' H ' HD12 ' A' ' 95' ' ' ILE . . . 46.76 94.84 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.552 1.157 . . . . 0.0 109.274 -179.98 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . 43.39 59.67 2.9 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.485 1.115 . . . . 0.0 109.279 179.944 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 99' ' ' ALA . . . . . 0.854 ' HB2' ' HB ' ' A' ' 96' ' ' VAL . . . -61.41 -65.47 0.69 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.523 1.139 . . . . 0.0 109.32 179.961 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . -108.93 59.82 0.34 Allowed Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.517 1.136 . . . . 0.0 111.021 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -74.76 -17.36 60.65 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.45 0.735 . . . . 0.0 110.303 179.986 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 9.4 pt-20 -68.62 -34.46 75.8 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.477 1.111 . . . . 0.0 110.313 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 103' ' ' LEU . . . . . 0.496 HD11 ' HG2' ' A' ' 40' ' ' LYS . 81.3 mt -45.63 -38.27 6.48 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.488 1.118 . . . . 0.0 109.281 -179.988 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 104' ' ' PHE . . . . . . . . . . . . . 16.7 m-85 -106.66 52.23 0.72 Allowed 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.525 1.141 . . . . 0.0 110.96 -179.968 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 105' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -59.77 131.99 52.6 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.488 1.117 . . . . 0.0 110.997 179.977 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 2.5 t -52.64 149.77 5.72 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.516 1.135 . . . . 0.0 110.409 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER 167.28 154.52 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.512 1.133 . . . . 0.0 109.302 -179.986 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 12.0 ttt-85 -51.36 127.79 20.7 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.506 1.129 . . . . 0.0 110.327 179.974 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -154.26 -169.28 3.19 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.493 1.12 . . . . 0.0 109.974 -179.974 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 56.78 78.98 0.1 Allowed Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.476 1.11 . . . . 0.0 110.994 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 111' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 86.46 1.42 Allowed 'Trans proline' 0 C--N 1.361 1.187 0 O-C-N 124.467 1.772 . . . . 0.0 110.999 -179.978 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 31.1 t -92.46 -63.65 1.2 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.549 1.156 . . . . 0.0 109.998 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -110.05 156.9 19.91 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.461 1.101 . . . . 0.0 110.048 179.98 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.018 0 O-C-N 124.553 1.158 . . . . 0.0 110.987 -179.99 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.985 0 N-CA-C 111.014 -0.835 . . . . 0.0 111.014 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 33.8 p -152.49 124.38 7.96 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.474 0.749 . . . . 0.0 110.002 -179.982 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 13.2 t -179.92 149.33 0.34 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.495 1.122 . . . . 0.0 109.962 -179.975 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -139.38 93.5 0.2 Allowed Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.474 1.108 . . . . 0.0 110.975 179.961 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -178.71 112.48 0.06 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.498 0.763 . . . . 0.0 109.991 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 9.6 t -117.27 27.85 8.84 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.479 1.112 . . . . 0.0 110.035 179.977 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 55.21 -174.16 0.89 Allowed Glycine 0 CA--C 1.529 0.96 0 O-C-N 124.513 1.133 . . . . 0.0 111.053 -179.954 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 88.7 p -136.26 106.08 9.41 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.517 0.775 . . . . 0.0 110.019 179.976 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.04 156.11 42.77 Favored 'Trans proline' 0 C--N 1.36 1.183 0 O-C-N 124.424 1.749 . . . . 0.0 110.978 -179.96 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 114.06 131.71 5.31 Favored Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.503 1.127 . . . . 0.0 111.0 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 2.4 t30 177.21 151.82 0.2 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.573 0.808 . . . . 0.0 109.263 -179.961 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 28.3 mtt180 -152.34 130.93 12.26 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.41 1.069 . . . . 0.0 110.28 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 2.0 tp10 -132.79 172.68 12.25 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.479 1.112 . . . . 0.0 110.324 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 2.9 m-20 -179.66 -55.92 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.491 1.119 . . . . 0.0 109.275 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -94.49 170.78 9.23 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.47 1.106 . . . . 0.0 109.315 179.97 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 22.3 mt-10 43.21 89.66 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.551 1.157 . . . . 0.0 110.338 -179.941 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 17' ' ' LYS . . . . . 0.598 ' HE3' HD11 ' A' ' 95' ' ' ILE . 0.4 OUTLIER -113.58 140.89 47.8 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.523 1.139 . . . . 0.0 109.31 -179.978 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 18' ' ' LYS . . . . . 0.464 ' HD3' ' CG2' ' A' ' 92' ' ' THR . 6.0 ttmm -91.49 123.15 34.69 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.486 1.116 . . . . 0.0 109.276 -179.97 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 19' ' ' VAL . . . . . 0.46 HG23 ' HB ' ' A' ' 93' ' ' ILE . 0.3 OUTLIER -121.64 117.02 51.22 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.45 1.094 . . . . 0.0 109.317 179.962 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -94.26 115.27 27.5 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.523 1.14 . . . . 0.0 111.024 -179.973 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 21' ' ' ILE . . . . . 0.518 HG23 ' HG ' ' A' ' 53' ' ' LEU . 18.2 mm -109.03 110.5 32.33 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 O-C-N 124.491 1.12 . . . . 0.0 109.343 179.984 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 22' ' ' SER . . . . . 0.469 ' OG ' HG22 ' A' ' 24' ' ' VAL . 10.7 p -111.92 121.1 44.11 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.448 1.093 . . . . 0.0 109.965 -179.963 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.433 HD11 ' H ' ' A' ' 29' ' ' LEU . 2.6 mm? -83.22 54.67 2.86 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.549 1.156 . . . . 0.0 109.302 179.979 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 24' ' ' VAL . . . . . 0.469 HG22 ' OG ' ' A' ' 22' ' ' SER . 14.8 m -128.56 167.03 24.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.458 1.099 . . . . 0.0 109.326 -179.963 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 63.52 52.67 44.49 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.487 1.117 . . . . 0.0 111.011 179.973 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 78.5 p 43.7 67.15 0.7 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.506 0.768 . . . . 0.0 110.018 -179.954 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 5.1 mtt180 -145.29 127.3 15.53 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.469 1.106 . . . . 0.0 110.31 -179.973 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -126.7 130.92 7.14 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.509 1.131 . . . . 0.0 111.016 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 29' ' ' LEU . . . . . 0.541 HD11 ' SG ' ' A' ' 31' ' ' CYS . 2.6 tp -41.41 146.22 0.22 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.51 0.771 . . . . 0.0 109.32 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -138.24 28.44 2.69 Favored Glycine 0 CA--C 1.529 0.933 0 O-C-N 124.53 1.144 . . . . 0.0 111.015 179.986 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 31' ' ' CYS . . . . . 0.541 ' SG ' HD11 ' A' ' 29' ' ' LEU . 11.2 p -121.48 140.45 52.17 Favored 'General case' 0 C--N 1.325 -0.458 0 N-CA-C 108.341 -0.985 . . . . 0.0 108.341 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -94.97 141.87 28.14 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.533 1.146 . . . . 0.0 109.979 -179.972 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 33' ' ' ILE . . . . . 0.536 HD11 HG23 ' A' ' 82' ' ' VAL . 8.2 pt -117.4 145.57 23.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.512 1.133 . . . . 0.0 109.308 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -130.88 169.57 15.59 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.51 1.131 . . . . 0.0 110.002 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 11.4 p -106.56 125.94 51.63 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.502 1.126 . . . . 0.0 110.001 179.982 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -70.79 172.13 43.68 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.492 1.12 . . . . 0.0 111.002 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.06 -172.43 1.26 Allowed 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.488 1.783 . . . . 0.0 111.008 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 0.7 OUTLIER -72.45 -30.02 33.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.456 1.098 . . . . 0.0 109.33 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 13.3 pt20 -77.83 -30.61 51.16 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.549 1.156 . . . . 0.0 110.337 179.95 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 40' ' ' LYS . . . . . 0.468 ' N ' ' HD3' ' A' ' 41' ' ' PRO . 5.3 tttt -136.62 61.82 38.91 Favored Pre-proline 0 C--N 1.324 -0.516 0 O-C-N 124.481 1.113 . . . . 0.0 109.291 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 41' ' ' PRO . . . . . 0.468 ' HD3' ' N ' ' A' ' 40' ' ' LYS . 18.0 Cg_endo -75.04 145.83 31.77 Favored 'Trans proline' 0 C--N 1.361 1.198 0 O-C-N 124.452 1.764 . . . . 0.0 110.949 -179.959 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 154.78 -158.32 28.21 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.511 1.132 . . . . 0.0 111.005 -179.987 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 43' ' ' ILE . . . . . 0.424 HG22 HD12 ' A' ' 65' ' ' ILE . 12.2 mm -123.44 108.47 21.1 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 O-C-N 124.46 0.741 . . . . 0.0 109.276 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 44' ' ' PHE . . . . . 0.577 ' CD2' HD12 ' A' ' 103' ' ' LEU . 3.2 m-85 -118.36 139.33 51.53 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.534 1.146 . . . . 0.0 111.003 179.977 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 45' ' ' ILE . . . . . 0.52 ' O ' ' CZ ' ' A' ' 104' ' ' PHE . 19.9 mt -67.51 141.49 17.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.467 1.104 . . . . 0.0 109.3 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 46' ' ' SER . . . . . 0.471 ' HA ' ' CE2' ' A' ' 104' ' ' PHE . 0.7 OUTLIER -105.49 -37.19 6.89 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.544 1.153 . . . . 0.0 109.999 179.998 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 47' ' ' HIS . . . . . 0.417 ' ND1' ' N ' ' A' ' 48' ' ' VAL . 56.4 t-80 -152.87 165.38 35.62 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.478 1.111 . . . . 0.0 109.583 179.96 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 48' ' ' VAL . . . . . 0.417 ' N ' ' ND1' ' A' ' 47' ' ' HIS . 80.8 t -145.79 125.56 6.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.49 1.118 . . . . 0.0 109.324 179.993 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 25.2 mttt -71.82 156.01 91.54 Favored Pre-proline 0 C--N 1.324 -0.508 0 O-C-N 124.546 1.154 . . . . 0.0 109.294 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 128.6 11.61 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.533 1.807 . . . . 0.0 111.042 179.955 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 66.98 13.37 61.65 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.505 1.128 . . . . 0.0 111.052 -179.927 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 76.8 p -58.26 -164.39 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.523 0.778 . . . . 0.0 109.977 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 53' ' ' LEU . . . . . 0.518 ' HG ' HG23 ' A' ' 21' ' ' ILE . 48.9 tp -89.66 -17.52 28.22 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.471 1.107 . . . . 0.0 109.307 -179.978 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 54' ' ' SER . . . . . 0.908 ' O ' HG22 ' A' ' 57' ' ' VAL . 0.0 OUTLIER -95.02 -38.77 10.49 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.465 1.103 . . . . 0.0 109.991 179.989 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -62.75 -30.31 71.34 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.531 1.144 . . . . 0.0 109.325 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 56' ' ' GLU . . . . . 0.513 ' HG3' HG13 ' A' ' 57' ' ' VAL . 2.4 pt-20 -65.62 -33.27 75.5 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.546 1.154 . . . . 0.0 110.347 179.976 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 57' ' ' VAL . . . . . 0.908 HG22 ' O ' ' A' ' 54' ' ' SER . 8.0 m -84.38 -21.03 8.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.517 1.136 . . . . 0.0 109.28 179.971 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 105.37 20.55 9.53 Favored Glycine 0 CA--C 1.529 0.964 0 O-C-N 124.554 1.159 . . . . 0.0 111.014 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 59' ' ' LEU . . . . . 0.743 HD23 ' OD2' ' A' ' 63' ' ' ASP . 11.2 mt -71.89 139.17 48.67 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.503 0.766 . . . . 0.0 109.297 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 51.1 mt-10 -145.23 172.99 12.33 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.494 1.121 . . . . 0.0 110.298 -179.974 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 30.2 mt -61.75 129.59 24.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.472 1.108 . . . . 0.0 109.282 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 113.54 -29.04 8.14 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.478 1.111 . . . . 0.0 110.977 179.957 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 63' ' ' ASP . . . . . 0.743 ' OD2' HD23 ' A' ' 59' ' ' LEU . 9.0 m-20 -60.25 97.36 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.486 0.756 . . . . 0.0 109.274 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 64' ' ' GLN . . . . . 0.566 ' HB2' ' CD2' ' A' ' 44' ' ' PHE . 46.5 tt0 -83.19 131.3 35.12 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.446 1.091 . . . . 0.0 110.304 179.967 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 65' ' ' ILE . . . . . 0.58 ' CG2' ' CG2' ' A' ' 68' ' ' VAL . 59.8 mt -80.76 109.43 15.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.503 1.127 . . . . 0.0 109.315 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 66' ' ' VAL . . . . . 0.918 HG22 ' O ' ' A' ' 94' ' ' SER . 12.7 m -98.15 -23.71 4.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.52 1.138 . . . . 0.0 109.294 -179.963 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 67' ' ' GLU . . . . . 0.42 ' HA ' ' O ' ' A' ' 71' ' ' VAL . 32.3 tt0 -153.52 153.45 32.45 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.465 1.103 . . . . 0.0 110.262 -179.963 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 68' ' ' VAL . . . . . 0.58 ' CG2' ' CG2' ' A' ' 65' ' ' ILE . 67.3 t -151.88 117.48 0.63 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.519 1.137 . . . . 0.0 109.314 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 69' ' ' ASN . . . . . 0.547 ' OD1' HD23 ' A' ' 91' ' ' LEU . 0.1 OUTLIER 57.15 18.29 4.04 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.525 1.141 . . . . 0.0 109.335 -179.955 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 95.81 5.12 60.05 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.497 1.123 . . . . 0.0 110.962 179.977 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 71' ' ' VAL . . . . . 0.423 HG23 ' O ' ' A' ' 68' ' ' VAL . 59.0 t -83.46 143.25 12.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.469 0.746 . . . . 0.0 109.348 179.952 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 2.2 t70 -80.43 87.9 5.63 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.512 1.133 . . . . 0.0 109.341 179.986 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 73' ' ' PHE . . . . . 0.728 ' CG ' HD12 ' A' ' 76' ' ' LEU . 2.9 m-85 -86.14 41.21 0.91 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.525 1.14 . . . . 0.0 111.021 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 3.3 t -82.84 -72.15 0.46 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.502 1.126 . . . . 0.0 109.957 -179.981 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 3.3 m-80 -103.95 47.11 0.89 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.469 1.106 . . . . 0.0 109.292 -179.976 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 76' ' ' LEU . . . . . 0.728 HD12 ' CG ' ' A' ' 73' ' ' PHE . 6.7 mt -80.44 -167.21 1.26 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.463 1.102 . . . . 0.0 109.299 179.968 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 31.9 t70 -134.68 170.87 15.17 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.494 1.121 . . . . 0.0 109.34 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 78' ' ' HIS . . . . . . . . . . . . . 60.2 t-80 -72.31 -5.54 36.88 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.507 1.129 . . . . 0.0 109.621 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 5.5 mttt -109.41 -36.39 6.01 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.489 1.118 . . . . 0.0 109.298 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 80' ' ' GLU . . . . . 0.701 ' CB ' HD22 ' A' ' 76' ' ' LEU . 1.8 mm-40 -77.54 -36.83 51.92 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.482 1.114 . . . . 0.0 110.271 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -73.07 -29.71 63.15 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.474 1.109 . . . . 0.0 109.277 -179.986 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 82' ' ' VAL . . . . . 0.697 HG12 ' HE3' ' A' ' 86' ' ' LYS . 3.0 t -81.38 -46.75 20.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.446 1.091 . . . . 0.0 109.324 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 18.3 t30 -57.85 -41.18 81.83 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.494 1.121 . . . . 0.0 109.303 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 84' ' ' VAL . . . . . 0.6 HG23 ' O ' ' A' ' 80' ' ' GLU . 69.9 t -72.99 -31.0 33.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.49 1.119 . . . . 0.0 109.267 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 85' ' ' LEU . . . . . 0.402 ' CD2' HG11 ' A' ' 68' ' ' VAL . 21.6 mt -77.17 -31.18 55.3 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.525 1.14 . . . . 0.0 109.266 -179.975 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 86' ' ' LYS . . . . . 0.697 ' HE3' HG12 ' A' ' 82' ' ' VAL . 8.3 ptpt -95.51 -2.59 48.28 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.487 1.117 . . . . 0.0 109.331 -179.976 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -53.56 -62.52 1.6 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.449 1.093 . . . . 0.0 109.984 -179.982 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 88' ' ' SER . . . . . 0.486 ' O ' HD11 ' A' ' 91' ' ' LEU . 2.3 t -122.8 -178.67 4.0 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.536 1.147 . . . . 0.0 110.021 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 9.5 mmt180 -85.47 -56.33 3.57 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.547 1.155 . . . . 0.0 110.322 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -85.94 119.01 25.78 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.48 1.113 . . . . 0.0 109.984 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 91' ' ' LEU . . . . . 0.547 HD23 ' OD1' ' A' ' 69' ' ' ASN . 1.0 OUTLIER -136.63 148.95 47.72 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.533 1.145 . . . . 0.0 109.325 179.997 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 92' ' ' THR . . . . . 0.464 ' CG2' ' HD3' ' A' ' 18' ' ' LYS . 9.7 m -109.87 100.46 9.43 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.492 1.12 . . . . 0.0 110.394 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 93' ' ' ILE . . . . . 0.477 HD12 ' CG1' ' A' ' 21' ' ' ILE . 12.0 mt -89.19 137.9 20.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.467 1.104 . . . . 0.0 109.276 -179.981 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 94' ' ' SER . . . . . 0.918 ' O ' HG22 ' A' ' 66' ' ' VAL . 0.3 OUTLIER -119.75 101.06 7.63 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.497 1.123 . . . . 0.0 109.991 -179.998 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 95' ' ' ILE . . . . . 0.598 HD11 ' HE3' ' A' ' 17' ' ' LYS . 1.1 pt -100.27 169.82 1.6 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.5 1.125 . . . . 0.0 109.296 -179.979 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 96' ' ' VAL . . . . . 0.813 ' HB ' ' HB2' ' A' ' 99' ' ' ALA . 73.4 t -109.11 31.81 0.99 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.481 1.113 . . . . 0.0 109.36 179.974 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 97' ' ' ALA . . . . . 0.53 ' H ' HD12 ' A' ' 95' ' ' ILE . . . 44.97 94.26 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.493 1.121 . . . . 0.0 109.308 -179.978 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 98' ' ' ALA . . . . . 0.698 ' HB1' ' HG3' ' A' ' 101' ' ' ARG . . . 50.94 56.53 7.86 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.506 1.129 . . . . 0.0 109.324 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 99' ' ' ALA . . . . . 0.813 ' HB2' ' HB ' ' A' ' 96' ' ' VAL . . . -59.99 -75.46 0.06 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.467 1.104 . . . . 0.0 109.34 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . -96.39 55.93 1.46 Allowed Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.509 1.131 . . . . 0.0 111.023 179.944 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 101' ' ' ARG . . . . . 0.698 ' HG3' ' HB1' ' A' ' 98' ' ' ALA . 0.0 OUTLIER -65.7 -19.97 66.11 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.509 0.77 . . . . 0.0 110.31 179.997 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 1.8 pt-20 -75.9 -6.44 50.88 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.496 1.123 . . . . 0.0 110.307 179.959 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 103' ' ' LEU . . . . . 0.577 HD12 ' CD2' ' A' ' 44' ' ' PHE . 76.8 mt -82.44 -11.86 58.24 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.433 1.083 . . . . 0.0 109.304 -179.972 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 104' ' ' PHE . . . . . 0.52 ' CZ ' ' O ' ' A' ' 45' ' ' ILE . 21.1 m-85 -133.9 59.05 1.75 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.53 1.144 . . . . 0.0 110.972 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 105' ' ' MET . . . . . . . . . . . . . 5.8 mtt -124.81 84.4 2.28 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.493 1.121 . . . . 0.0 111.024 179.974 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 1.3 m -136.76 121.7 18.85 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.53 1.144 . . . . 0.0 110.365 -179.986 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -111.82 111.23 22.03 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.514 1.134 . . . . 0.0 109.329 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -152.44 144.05 23.49 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.506 1.129 . . . . 0.0 110.284 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 51.9 p -97.81 169.43 9.67 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.466 1.104 . . . . 0.0 109.985 -179.986 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . -172.7 76.98 0.09 OUTLIER Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.465 1.103 . . . . 0.0 111.022 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 111' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 156.39 43.03 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.527 1.804 . . . . 0.0 110.995 -179.977 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 44.6 m -162.34 153.28 17.54 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.468 1.105 . . . . 0.0 110.0 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -76.97 160.75 28.91 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.463 1.102 . . . . 0.0 109.988 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.986 0 O-C-N 124.543 1.152 . . . . 0.0 110.993 -179.998 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.966 0 N-CA-C 111.006 -0.838 . . . . 0.0 111.006 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 18.5 m -168.11 108.12 0.54 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.481 0.753 . . . . 0.0 109.997 -179.968 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -155.65 157.57 36.91 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.495 1.122 . . . . 0.0 110.008 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 115.92 125.02 3.78 Favored Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.567 1.167 . . . . 0.0 110.98 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 94.5 p -143.05 110.41 5.74 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.509 0.77 . . . . 0.0 109.999 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -102.57 -24.3 13.8 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.571 1.169 . . . . 0.0 110.005 179.969 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 109.25 175.31 21.31 Favored Glycine 0 CA--C 1.529 0.96 0 O-C-N 124.486 1.116 . . . . 0.0 110.969 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -118.01 106.07 46.12 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.455 0.738 . . . . 0.0 109.986 -179.958 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 117.37 4.89 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.47 1.774 . . . . 0.0 111.001 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 92.37 -165.38 28.77 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.509 1.13 . . . . 0.0 111.036 -179.983 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -152.91 -55.37 0.12 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.512 0.772 . . . . 0.0 109.26 179.972 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 1.5 mtm180 -150.36 132.47 15.32 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.446 1.092 . . . . 0.0 110.354 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 65.0 mt-10 -147.71 150.15 33.77 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.505 1.128 . . . . 0.0 110.3 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER 173.6 -59.49 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.483 1.114 . . . . 0.0 109.296 -179.978 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -84.4 170.49 13.52 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.485 1.116 . . . . 0.0 109.255 -179.971 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 16' ' ' GLU . . . . . 0.475 ' HG3' HG22 ' A' ' 96' ' ' VAL . 20.1 mt-10 40.47 88.63 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.511 1.132 . . . . 0.0 110.264 179.962 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -111.21 144.12 40.88 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.482 1.113 . . . . 0.0 109.291 179.968 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 18' ' ' LYS . . . . . 0.636 ' HD3' HG23 ' A' ' 92' ' ' THR . 1.7 ttmm -97.85 119.52 36.6 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.498 1.124 . . . . 0.0 109.299 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 19' ' ' VAL . . . . . 0.482 HG23 ' HB ' ' A' ' 93' ' ' ILE . 2.0 m -120.0 120.44 63.12 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.479 1.112 . . . . 0.0 109.319 179.966 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 20' ' ' PHE . . . . . 0.426 ' CD1' ' O ' ' A' ' 91' ' ' LEU . 0.1 OUTLIER -97.83 114.53 26.6 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.53 1.143 . . . . 0.0 110.978 -179.995 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 21' ' ' ILE . . . . . 0.568 HG13 HD12 ' A' ' 93' ' ' ILE . 5.2 mm -102.95 125.74 57.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.534 1.146 . . . . 0.0 109.301 179.968 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 71.6 m -118.01 128.78 55.11 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.44 1.088 . . . . 0.0 110.027 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -95.97 58.72 1.92 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.489 1.118 . . . . 0.0 109.273 -179.974 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 2.7 m -119.49 167.42 12.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.481 1.113 . . . . 0.0 109.299 -179.987 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 46.08 -143.96 4.0 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.527 1.142 . . . . 0.0 111.031 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 32.6 p -71.43 175.27 5.62 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.509 0.77 . . . . 0.0 110.003 179.982 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 55.0 mtt180 62.75 149.02 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.492 1.12 . . . . 0.0 110.34 -179.947 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -154.88 40.43 0.62 Allowed Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.518 1.137 . . . . 0.0 111.036 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 29' ' ' LEU . . . . . 0.419 HD21 ' SG ' ' A' ' 31' ' ' CYS . 0.5 OUTLIER 73.48 152.32 0.13 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.498 0.764 . . . . 0.0 109.284 -179.963 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -154.41 25.24 0.67 Allowed Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.482 1.114 . . . . 0.0 110.996 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 31' ' ' CYS . . . . . 0.5 ' HB3' HG22 ' A' ' 48' ' ' VAL . 25.8 p -108.3 155.71 20.19 Favored 'General case' 0 C--N 1.325 -0.475 0 N-CA-C 108.293 -1.003 . . . . 0.0 108.293 -179.977 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -114.1 142.32 46.35 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.504 1.128 . . . . 0.0 109.96 -179.954 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 33' ' ' ILE . . . . . 0.467 HD11 HG23 ' A' ' 82' ' ' VAL . 10.2 pt -110.27 145.24 17.0 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.51 1.131 . . . . 0.0 109.329 179.956 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 34' ' ' SER . . . . . 0.4 ' HG ' ' HZ ' ' A' ' 104' ' ' PHE . 24.1 p -125.72 163.38 22.95 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.53 1.144 . . . . 0.0 110.03 179.978 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 61.8 p -94.74 142.99 26.82 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.478 1.111 . . . . 0.0 110.018 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -96.98 163.56 22.32 Favored Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.525 1.14 . . . . 0.0 110.995 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.97 -164.31 0.23 Allowed 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.429 1.752 . . . . 0.0 110.954 -179.983 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 38' ' ' ILE . . . . . 0.418 HG22 ' H ' ' A' ' 38' ' ' ILE . 0.8 OUTLIER -79.11 -31.1 14.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.526 1.141 . . . . 0.0 109.313 179.983 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 1.7 pt20 -79.75 -25.95 40.87 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.506 1.129 . . . . 0.0 110.319 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 40' ' ' LYS . . . . . 0.857 ' HG2' HD11 ' A' ' 103' ' ' LEU . 0.0 OUTLIER -136.3 61.47 39.02 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.468 1.105 . . . . 0.0 109.297 -179.978 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 41' ' ' PRO . . . . . 0.47 ' HD3' ' N ' ' A' ' 40' ' ' LYS . 18.2 Cg_endo -75.03 147.06 33.3 Favored 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.44 1.758 . . . . 0.0 110.956 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 140.56 -162.07 26.58 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.492 1.12 . . . . 0.0 111.023 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 43' ' ' ILE . . . . . 0.417 ' O ' ' HA ' ' A' ' 64' ' ' GLN . 14.2 mm -117.76 130.68 72.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.525 0.779 . . . . 0.0 109.29 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 44' ' ' PHE . . . . . 0.579 ' CD2' ' HB2' ' A' ' 64' ' ' GLN . 1.3 m-85 -136.36 141.12 43.69 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.479 1.112 . . . . 0.0 111.003 -179.986 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 18.3 mt -68.84 146.29 12.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.474 1.109 . . . . 0.0 109.289 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 1.2 p -111.7 -36.88 5.34 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.52 1.138 . . . . 0.0 109.999 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 63.6 t-80 -151.86 159.3 43.9 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.485 1.116 . . . . 0.0 109.58 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 48' ' ' VAL . . . . . 0.5 HG22 ' HB3' ' A' ' 31' ' ' CYS . 26.4 t -140.63 125.33 18.61 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 O-C-N 124.497 1.123 . . . . 0.0 109.285 -179.976 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -75.49 153.5 85.71 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.504 1.127 . . . . 0.0 109.322 179.964 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.95 115.61 4.34 Favored 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.513 1.796 . . . . 0.0 111.026 179.963 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 84.17 28.03 35.14 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.449 1.093 . . . . 0.0 110.997 179.977 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 52' ' ' SER . . . . . 0.491 ' H ' ' HB3' ' A' ' 55' ' ' ALA . 94.6 p -90.53 169.02 11.39 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.497 0.763 . . . . 0.0 110.014 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 53' ' ' LEU . . . . . 0.93 HD13 ' CD ' ' A' ' 56' ' ' GLU . 0.1 OUTLIER -58.21 -18.75 28.33 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.468 1.105 . . . . 0.0 109.285 -179.957 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 54' ' ' SER . . . . . 0.577 ' O ' HG22 ' A' ' 57' ' ' VAL . 0.3 OUTLIER -93.25 -34.37 13.59 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.496 1.122 . . . . 0.0 109.975 -179.991 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 55' ' ' ALA . . . . . 0.491 ' HB3' ' H ' ' A' ' 52' ' ' SER . . . -71.97 -41.55 67.57 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.496 1.122 . . . . 0.0 109.286 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 56' ' ' GLU . . . . . 0.93 ' CD ' HD13 ' A' ' 53' ' ' LEU . 8.2 pt-20 -54.41 -38.07 65.8 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.573 1.17 . . . . 0.0 110.286 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 57' ' ' VAL . . . . . 0.577 HG22 ' O ' ' A' ' 54' ' ' SER . 32.6 m -80.7 -26.38 11.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.464 1.102 . . . . 0.0 109.297 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 98.17 39.99 3.62 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.526 1.141 . . . . 0.0 111.023 -179.977 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 59' ' ' LEU . . . . . 0.532 ' HG ' HG23 ' A' ' 57' ' ' VAL . 20.8 mt -82.43 145.77 29.67 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.5 0.764 . . . . 0.0 109.32 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 35.9 mt-10 -136.16 162.27 33.41 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.544 1.152 . . . . 0.0 110.288 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 60.2 mt -57.09 129.59 19.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.536 1.147 . . . . 0.0 109.308 180.0 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 117.54 -34.31 4.58 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.477 1.11 . . . . 0.0 111.002 -179.994 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 63' ' ' ASP . . . . . 0.442 ' CG ' HD13 ' A' ' 95' ' ' ILE . 82.2 m-20 -48.93 98.02 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.546 0.792 . . . . 0.0 109.294 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 64' ' ' GLN . . . . . 0.636 ' HB3' ' HB3' ' A' ' 99' ' ' ALA . 53.8 tt0 -83.0 128.13 34.19 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.509 1.131 . . . . 0.0 110.331 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 65' ' ' ILE . . . . . 0.582 ' CG2' ' CD2' ' A' ' 73' ' ' PHE . 68.0 mt -80.49 108.98 14.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.469 1.106 . . . . 0.0 109.343 179.971 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 66' ' ' VAL . . . . . 0.852 HG22 ' O ' ' A' ' 94' ' ' SER . 14.1 m -97.56 -24.38 4.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.488 1.117 . . . . 0.0 109.25 -179.967 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 67' ' ' GLU . . . . . 0.423 ' C ' HG23 ' A' ' 68' ' ' VAL . 35.9 tt0 -151.86 154.16 35.61 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.494 1.121 . . . . 0.0 110.298 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 68' ' ' VAL . . . . . 0.576 ' CG2' ' CG2' ' A' ' 65' ' ' ILE . 99.5 t -152.32 114.42 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.499 1.125 . . . . 0.0 109.311 -179.975 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 69' ' ' ASN . . . . . 0.808 HD22 HD23 ' A' ' 91' ' ' LEU . 1.2 t-20 57.08 20.68 5.71 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.531 1.145 . . . . 0.0 109.303 -180.0 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 97.16 -0.09 60.12 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.469 1.106 . . . . 0.0 111.005 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 71' ' ' VAL . . . . . 0.697 HG21 ' CG1' ' A' ' 84' ' ' VAL . 61.2 t -75.71 146.03 9.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.458 0.74 . . . . 0.0 109.303 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 4.2 t0 -85.51 87.87 7.45 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.54 1.15 . . . . 0.0 109.358 179.975 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 73' ' ' PHE . . . . . 0.749 ' CG ' HD12 ' A' ' 76' ' ' LEU . 3.3 m-85 -86.79 41.88 0.98 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.461 1.101 . . . . 0.0 110.984 -179.954 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 10.3 t -79.46 -67.32 0.77 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.444 1.09 . . . . 0.0 109.983 -179.961 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 6.5 p30 -113.8 49.48 0.98 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.454 1.096 . . . . 0.0 109.268 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 76' ' ' LEU . . . . . 0.749 HD12 ' CG ' ' A' ' 73' ' ' PHE . 7.1 mt -78.64 -167.7 1.17 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.475 1.109 . . . . 0.0 109.305 179.964 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 21.2 t70 -136.59 171.68 14.13 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.473 1.108 . . . . 0.0 109.314 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 78' ' ' HIS . . . . . . . . . . . . . 62.4 t-80 -71.9 -6.3 40.84 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.447 1.092 . . . . 0.0 109.646 179.972 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 5.3 mmtt -107.8 -36.28 6.44 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.502 1.126 . . . . 0.0 109.257 -179.97 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 80' ' ' GLU . . . . . 0.702 ' CB ' HD22 ' A' ' 76' ' ' LEU . 2.1 mm-40 -79.32 -37.41 37.7 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.545 1.153 . . . . 0.0 110.288 -179.965 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -72.81 -26.48 61.52 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.508 1.13 . . . . 0.0 109.281 -179.98 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 82' ' ' VAL . . . . . 0.699 HG12 ' CE ' ' A' ' 86' ' ' LYS . 4.4 t -83.2 -44.33 18.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.536 1.147 . . . . 0.0 109.288 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 13.0 t30 -59.83 -44.88 93.82 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.453 1.096 . . . . 0.0 109.291 -179.952 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 84' ' ' VAL . . . . . 0.697 ' CG1' HG21 ' A' ' 71' ' ' VAL . 88.5 t -69.19 -28.12 37.62 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.478 1.111 . . . . 0.0 109.298 -179.988 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 17.6 mt -78.39 -39.67 38.38 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.522 1.139 . . . . 0.0 109.299 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 86' ' ' LYS . . . . . 0.699 ' CE ' HG12 ' A' ' 82' ' ' VAL . 4.7 ptpt -86.55 -1.92 58.04 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.56 1.163 . . . . 0.0 109.301 -179.986 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 2.2 t -52.99 -67.88 0.22 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.471 1.107 . . . . 0.0 109.99 179.968 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 88' ' ' SER . . . . . 0.418 ' O ' HD11 ' A' ' 91' ' ' LEU . 0.3 OUTLIER -119.66 -176.98 3.28 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.469 1.106 . . . . 0.0 110.015 179.983 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 5.2 mmt-85 -86.42 -55.19 4.01 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.483 1.114 . . . . 0.0 110.26 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 2.0 m -89.26 119.72 29.99 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.448 1.092 . . . . 0.0 110.004 -179.977 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 91' ' ' LEU . . . . . 0.808 HD23 HD22 ' A' ' 69' ' ' ASN . 1.0 OUTLIER -137.34 148.22 46.13 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.485 1.116 . . . . 0.0 109.246 -179.995 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 92' ' ' THR . . . . . 0.636 HG23 ' HD3' ' A' ' 18' ' ' LYS . 2.8 m -106.58 101.32 10.78 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.488 1.117 . . . . 0.0 110.37 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 93' ' ' ILE . . . . . 0.568 HD12 HG13 ' A' ' 21' ' ' ILE . 17.7 mt -89.3 137.22 21.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.495 1.122 . . . . 0.0 109.314 179.975 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 94' ' ' SER . . . . . 0.852 ' O ' HG22 ' A' ' 66' ' ' VAL . 0.3 OUTLIER -118.97 100.05 7.12 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.536 1.147 . . . . 0.0 109.98 -179.993 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 95' ' ' ILE . . . . . 0.442 HD13 ' CG ' ' A' ' 63' ' ' ASP . 1.2 pt -100.33 168.8 1.77 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.524 1.14 . . . . 0.0 109.31 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 96' ' ' VAL . . . . . 0.862 ' HB ' ' HB2' ' A' ' 99' ' ' ALA . 75.9 t -111.44 34.29 0.85 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.56 1.162 . . . . 0.0 109.298 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 97' ' ' ALA . . . . . 0.413 ' H ' HD12 ' A' ' 95' ' ' ILE . . . 47.09 95.27 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.475 1.109 . . . . 0.0 109.279 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 98' ' ' ALA . . . . . 0.729 ' HB1' ' HG3' ' A' ' 101' ' ' ARG . . . 44.29 59.61 3.18 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.472 1.108 . . . . 0.0 109.33 179.979 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 99' ' ' ALA . . . . . 0.862 ' HB2' ' HB ' ' A' ' 96' ' ' VAL . . . -63.79 -76.38 0.07 Allowed 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.534 1.146 . . . . 0.0 109.285 -179.986 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . -89.66 49.14 3.37 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.478 1.111 . . . . 0.0 111.017 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 101' ' ' ARG . . . . . 0.729 ' HG3' ' HB1' ' A' ' 98' ' ' ALA . 0.0 OUTLIER -63.55 -35.92 82.07 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.552 0.795 . . . . 0.0 110.333 179.993 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 9.6 pt-20 -50.93 -31.14 16.75 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.502 1.126 . . . . 0.0 110.32 -179.987 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 103' ' ' LEU . . . . . 0.857 HD11 ' HG2' ' A' ' 40' ' ' LYS . 70.4 mt -54.23 -34.44 60.69 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.441 1.088 . . . . 0.0 109.287 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 104' ' ' PHE . . . . . 0.4 ' HZ ' ' HG ' ' A' ' 34' ' ' SER . 31.9 m-85 -113.3 49.17 0.98 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.536 1.147 . . . . 0.0 111.002 179.968 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 105' ' ' MET . . . . . . . . . . . . . 2.1 ppp? -97.07 139.35 33.21 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.519 1.137 . . . . 0.0 111.052 179.957 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 22.9 m 55.79 93.45 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.5 1.125 . . . . 0.0 110.425 -179.982 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 15.6 m-20 -126.98 161.07 29.22 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.485 1.116 . . . . 0.0 109.299 -179.98 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -169.41 156.05 6.58 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.484 1.115 . . . . 0.0 110.287 -179.957 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 63.54 156.13 0.06 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.543 1.152 . . . . 0.0 109.988 179.958 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . -157.58 95.98 0.15 Allowed Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.494 1.121 . . . . 0.0 111.041 179.977 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 111' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 98.22 1.14 Allowed 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.532 1.806 . . . . 0.0 111.008 -179.951 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -114.44 98.76 7.1 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.451 1.094 . . . . 0.0 110.012 -179.963 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 28.6 t -149.61 88.6 1.57 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.499 1.125 . . . . 0.0 110.006 -179.98 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.99 0 O-C-N 124.434 1.084 . . . . 0.0 110.994 179.991 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.992 0 N-CA-C 111.026 -0.83 . . . . 0.0 111.026 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 74.6 p -167.64 89.59 0.3 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.521 0.777 . . . . 0.0 109.997 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 36.9 t -169.44 140.5 2.28 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.492 1.12 . . . . 0.0 110.014 179.972 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 147.85 86.5 0.06 OUTLIER Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.553 1.158 . . . . 0.0 110.978 -179.983 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 29.1 t -168.42 103.93 0.44 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.478 0.752 . . . . 0.0 110.02 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 64.1 m -96.71 -20.89 17.92 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.446 1.091 . . . . 0.0 110.017 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 60.96 95.49 0.01 OUTLIER Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.535 1.147 . . . . 0.0 111.016 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 66.7 m -131.71 137.01 29.38 Favored Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.499 0.764 . . . . 0.0 109.987 -179.97 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 -179.03 4.6 Favored 'Trans proline' 0 C--N 1.359 1.12 0 O-C-N 124.518 1.799 . . . . 0.0 111.006 179.957 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 77.47 138.36 1.06 Allowed Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.495 1.122 . . . . 0.0 111.022 -179.953 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 14.2 t-20 -154.75 65.18 0.66 Allowed 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.521 0.777 . . . . 0.0 109.299 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 3.0 mtt180 -107.28 128.78 54.74 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.532 1.145 . . . . 0.0 110.308 -179.981 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -149.29 139.34 22.09 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.486 1.116 . . . . 0.0 110.29 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 7.1 t30 -159.24 -60.62 0.07 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.495 1.122 . . . . 0.0 109.311 179.974 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -72.84 171.32 12.91 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.567 1.167 . . . . 0.0 109.252 -179.977 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 23.7 mt-10 51.66 86.83 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.493 1.121 . . . . 0.0 110.304 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 17' ' ' LYS . . . . . 0.56 ' HE3' HD11 ' A' ' 95' ' ' ILE . 0.7 OUTLIER -113.39 157.3 22.07 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.546 1.153 . . . . 0.0 109.321 179.974 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -109.21 123.55 49.43 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.409 1.068 . . . . 0.0 109.278 -179.98 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 19' ' ' VAL . . . . . 0.418 HG23 ' HB ' ' A' ' 93' ' ' ILE . 0.6 OUTLIER -123.46 117.0 50.0 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.551 1.157 . . . . 0.0 109.271 -179.993 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 20' ' ' PHE . . . . . 0.597 ' CE2' ' OG1' ' A' ' 92' ' ' THR . 0.2 OUTLIER -93.6 113.51 25.63 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.526 1.141 . . . . 0.0 111.041 179.937 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 21' ' ' ILE . . . . . 0.438 ' CG1' HD12 ' A' ' 93' ' ' ILE . 24.1 mm -96.53 119.44 44.59 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.505 1.128 . . . . 0.0 109.312 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 4.4 p -113.0 123.91 51.41 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.497 1.123 . . . . 0.0 110.027 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.42 HD13 ' HA ' ' A' ' 23' ' ' LEU . 4.4 mm? -98.1 51.13 1.02 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.491 1.119 . . . . 0.0 109.302 -179.968 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 4.0 m -123.77 168.62 16.11 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.523 1.14 . . . . 0.0 109.31 -179.978 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 67.83 54.94 15.82 Favored Glycine 0 CA--C 1.531 1.042 0 O-C-N 124.51 1.131 . . . . 0.0 110.962 179.941 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 39.78 73.94 0.11 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.489 0.758 . . . . 0.0 110.005 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -145.54 166.25 26.27 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.446 1.091 . . . . 0.0 110.294 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -155.92 143.43 9.78 Favored Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.481 1.113 . . . . 0.0 111.012 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 29' ' ' LEU . . . . . 0.698 HD11 ' SG ' ' A' ' 31' ' ' CYS . 4.4 tp -62.04 145.6 52.68 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.529 0.782 . . . . 0.0 109.326 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -137.04 38.21 1.77 Allowed Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.51 1.132 . . . . 0.0 110.966 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 31' ' ' CYS . . . . . 0.698 ' SG ' HD11 ' A' ' 29' ' ' LEU . 17.0 p -127.67 142.1 51.43 Favored 'General case' 0 C--N 1.324 -0.508 0 N-CA-C 108.292 -1.003 . . . . 0.0 108.292 179.969 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -101.86 137.68 39.84 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.508 1.13 . . . . 0.0 109.954 -179.973 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 33' ' ' ILE . . . . . 0.563 HD11 ' CG2' ' A' ' 82' ' ' VAL . 5.5 pt -108.37 148.08 12.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.471 1.107 . . . . 0.0 109.348 179.967 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 24.1 m -138.64 142.87 39.06 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.509 1.13 . . . . 0.0 110.001 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 1.7 t -81.89 149.74 28.11 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.543 1.152 . . . . 0.0 110.031 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -92.7 174.72 36.46 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.536 1.148 . . . . 0.0 111.024 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.96 -172.31 1.22 Allowed 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.507 1.793 . . . . 0.0 110.982 -179.983 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 0.8 OUTLIER -72.46 -30.19 33.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.489 1.118 . . . . 0.0 109.336 179.945 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 12.3 pt20 -77.12 -31.02 55.48 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.483 1.114 . . . . 0.0 110.321 179.963 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 40' ' ' LYS . . . . . 0.68 ' HG2' HD11 ' A' ' 103' ' ' LEU . 0.6 OUTLIER -137.45 62.11 35.03 Favored Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.514 1.134 . . . . 0.0 109.272 179.99 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 41' ' ' PRO . . . . . 0.459 ' HD3' ' N ' ' A' ' 40' ' ' LYS . 18.3 Cg_endo -75.04 146.39 32.47 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.509 1.794 . . . . 0.0 110.974 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 151.54 -166.21 30.67 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.522 1.139 . . . . 0.0 110.981 179.992 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 43' ' ' ILE . . . . . 0.534 HG22 HD12 ' A' ' 65' ' ' ILE . 14.5 mm -114.21 118.74 59.35 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.529 0.782 . . . . 0.0 109.242 -179.949 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 44' ' ' PHE . . . . . 0.567 ' N ' ' CD1' ' A' ' 44' ' ' PHE . 1.5 m-85 -129.35 143.15 50.73 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.475 1.109 . . . . 0.0 110.967 179.98 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 45' ' ' ILE . . . . . 0.594 ' O ' ' CE2' ' A' ' 104' ' ' PHE . 5.4 mt -65.5 150.1 10.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.518 1.136 . . . . 0.0 109.328 179.934 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 1.1 p -119.27 -40.43 2.81 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.521 1.138 . . . . 0.0 110.017 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 47' ' ' HIS . . . . . 0.42 ' O ' ' HA ' ' A' ' 31' ' ' CYS . 44.4 t-80 -156.45 150.39 25.04 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.495 1.122 . . . . 0.0 109.606 179.98 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 48' ' ' VAL . . . . . 0.439 HG21 ' HB2' ' A' ' 54' ' ' SER . 0.6 OUTLIER -150.26 132.76 6.29 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.454 1.096 . . . . 0.0 109.294 -179.978 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 49' ' ' LYS . . . . . 0.407 ' HA ' ' HD3' ' A' ' 50' ' ' PRO . 0.9 OUTLIER -70.38 143.33 90.47 Favored Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.489 1.118 . . . . 0.0 109.278 -179.978 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 50' ' ' PRO . . . . . 0.407 ' HD3' ' HA ' ' A' ' 49' ' ' LYS . 18.2 Cg_endo -75.06 65.26 6.12 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.506 1.793 . . . . 0.0 111.012 180.0 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 145.35 44.88 0.04 OUTLIER Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.531 1.144 . . . . 0.0 110.99 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 52' ' ' SER . . . . . 0.613 ' H ' ' HB3' ' A' ' 55' ' ' ALA . 3.3 p -112.5 -150.41 0.46 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.511 0.771 . . . . 0.0 110.012 179.97 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 53' ' ' LEU . . . . . 0.473 ' HA ' HD13 ' A' ' 53' ' ' LEU . 0.0 OUTLIER -84.78 -19.71 32.17 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.479 1.112 . . . . 0.0 109.31 -179.973 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 54' ' ' SER . . . . . 0.551 ' O ' HG22 ' A' ' 57' ' ' VAL . 0.7 OUTLIER -94.44 -39.85 10.22 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.475 1.109 . . . . 0.0 109.982 179.977 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 55' ' ' ALA . . . . . 0.613 ' HB3' ' H ' ' A' ' 52' ' ' SER . . . -60.62 -32.62 71.76 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.49 1.119 . . . . 0.0 109.289 -179.979 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 56' ' ' GLU . . . . . 0.448 ' CG ' ' O ' ' A' ' 53' ' ' LEU . 0.9 OUTLIER -61.72 -32.78 73.03 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.492 1.12 . . . . 0.0 110.253 -179.955 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 57' ' ' VAL . . . . . 0.58 HG23 ' HG ' ' A' ' 59' ' ' LEU . 33.0 m -95.28 -3.05 10.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.52 1.137 . . . . 0.0 109.259 -179.953 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 79.85 27.3 53.99 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.457 1.098 . . . . 0.0 110.975 179.978 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 59' ' ' LEU . . . . . 0.58 ' HG ' HG23 ' A' ' 57' ' ' VAL . 9.9 mt -68.39 138.73 55.59 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.453 0.737 . . . . 0.0 109.306 179.976 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 39.8 mt-10 -135.65 170.86 15.31 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.537 1.148 . . . . 0.0 110.314 179.97 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 61' ' ' ILE . . . . . 0.408 ' HA ' HG22 ' A' ' 45' ' ' ILE . 42.5 mt -62.12 137.17 24.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.491 1.119 . . . . 0.0 109.296 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 62' ' ' GLY . . . . . 0.428 ' O ' ' N ' ' A' ' 64' ' ' GLN . . . 111.04 -41.65 2.18 Favored Glycine 0 CA--C 1.531 1.048 0 O-C-N 124.484 1.115 . . . . 0.0 110.973 179.986 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 81.4 m-20 -45.24 97.56 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.542 0.789 . . . . 0.0 109.315 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 64' ' ' GLN . . . . . 0.568 ' HB3' ' HB3' ' A' ' 99' ' ' ALA . 28.1 tt0 -82.87 134.82 35.08 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.491 1.12 . . . . 0.0 110.307 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 65' ' ' ILE . . . . . 0.709 HG23 HG23 ' A' ' 93' ' ' ILE . 16.4 mt -88.38 111.42 22.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.509 1.131 . . . . 0.0 109.255 -179.977 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 66' ' ' VAL . . . . . 0.604 HG22 ' O ' ' A' ' 94' ' ' SER . 17.3 m -101.04 -21.64 5.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.516 1.135 . . . . 0.0 109.359 179.953 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 67' ' ' GLU . . . . . 0.428 ' HA ' ' O ' ' A' ' 71' ' ' VAL . 33.8 tt0 -151.92 152.46 32.57 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.537 1.148 . . . . 0.0 110.27 179.986 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 68' ' ' VAL . . . . . 0.684 ' O ' HG23 ' A' ' 71' ' ' VAL . 97.7 t -152.25 119.58 0.7 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.514 1.134 . . . . 0.0 109.335 179.988 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 69' ' ' ASN . . . . . 0.898 ' ND2' HD23 ' A' ' 91' ' ' LEU . 1.1 t-20 51.23 28.57 4.24 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.484 1.115 . . . . 0.0 109.321 -179.956 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 84.84 22.4 53.12 Favored Glycine 0 CA--C 1.529 0.959 0 O-C-N 124.497 1.123 . . . . 0.0 111.036 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 71' ' ' VAL . . . . . 0.684 HG23 ' O ' ' A' ' 68' ' ' VAL . 98.6 t -97.39 158.91 3.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.442 0.73 . . . . 0.0 109.331 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 1.8 t0 -94.47 85.18 4.48 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.545 1.153 . . . . 0.0 109.319 179.966 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 73' ' ' PHE . . . . . 0.794 ' CD1' HD12 ' A' ' 76' ' ' LEU . 3.8 m-85 -89.62 26.31 1.78 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.483 1.114 . . . . 0.0 111.026 179.979 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -79.35 -47.75 15.26 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.463 1.102 . . . . 0.0 110.014 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 5.0 p-10 -124.32 48.55 1.91 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.469 1.106 . . . . 0.0 109.312 179.964 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 76' ' ' LEU . . . . . 0.794 HD12 ' CD1' ' A' ' 73' ' ' PHE . 7.1 mt -87.41 -167.71 1.98 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.513 1.133 . . . . 0.0 109.31 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 38.2 t70 -133.4 172.16 13.08 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.491 1.119 . . . . 0.0 109.324 179.969 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 78' ' ' HIS . . . . . . . . . . . . . 60.2 t-80 -72.35 -5.82 39.01 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.485 1.115 . . . . 0.0 109.576 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 9.7 mmtt -109.01 -37.24 5.87 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.474 1.108 . . . . 0.0 109.32 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 80' ' ' GLU . . . . . 0.699 ' CB ' HD22 ' A' ' 76' ' ' LEU . 3.7 mt-10 -78.62 -35.79 45.07 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.527 1.142 . . . . 0.0 110.333 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -73.69 -31.64 63.54 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.495 1.122 . . . . 0.0 109.31 179.937 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 82' ' ' VAL . . . . . 0.828 HG12 ' CE ' ' A' ' 86' ' ' LYS . 44.2 t -82.06 -39.02 16.15 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.54 1.15 . . . . 0.0 109.302 -179.959 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 41.3 t30 -63.92 -40.22 95.97 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.504 1.127 . . . . 0.0 109.326 179.962 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 84' ' ' VAL . . . . . 0.68 HG23 ' O ' ' A' ' 80' ' ' GLU . 83.2 t -73.23 -33.48 41.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.502 1.126 . . . . 0.0 109.267 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 25.9 mt -75.69 -35.28 60.37 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.468 1.105 . . . . 0.0 109.311 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 86' ' ' LYS . . . . . 0.828 ' CE ' HG12 ' A' ' 82' ' ' VAL . 0.2 OUTLIER -88.45 -3.66 58.78 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.508 1.13 . . . . 0.0 109.267 -179.953 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 4.9 t -57.54 -59.79 4.65 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.477 1.111 . . . . 0.0 109.98 -179.936 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 88' ' ' SER . . . . . 0.717 ' O ' HD11 ' A' ' 91' ' ' LEU . 0.4 OUTLIER -128.25 174.39 9.32 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.471 1.107 . . . . 0.0 110.004 179.992 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 24.7 mmt180 -81.51 -58.94 2.8 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.503 1.127 . . . . 0.0 110.312 179.952 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -83.13 117.78 23.12 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.519 1.137 . . . . 0.0 110.039 179.958 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 91' ' ' LEU . . . . . 0.898 HD23 ' ND2' ' A' ' 69' ' ' ASN . 1.1 mt -140.85 143.9 35.01 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.521 1.138 . . . . 0.0 109.307 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 92' ' ' THR . . . . . 0.597 ' OG1' ' CE2' ' A' ' 20' ' ' PHE . 44.0 m -100.12 100.27 11.1 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.471 1.107 . . . . 0.0 110.385 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 93' ' ' ILE . . . . . 0.709 HG23 HG23 ' A' ' 65' ' ' ILE . 16.8 mt -89.91 135.16 26.96 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.551 1.157 . . . . 0.0 109.303 179.978 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 94' ' ' SER . . . . . 0.604 ' O ' HG22 ' A' ' 66' ' ' VAL . 0.4 OUTLIER -115.79 103.24 10.46 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.488 1.118 . . . . 0.0 109.976 -179.971 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 95' ' ' ILE . . . . . 0.56 HD11 ' HE3' ' A' ' 17' ' ' LYS . 1.5 pt -100.3 168.47 1.84 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.462 1.101 . . . . 0.0 109.325 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 96' ' ' VAL . . . . . 0.928 ' HB ' ' HB2' ' A' ' 99' ' ' ALA . 76.0 t -108.32 31.27 0.99 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.473 1.108 . . . . 0.0 109.296 179.985 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 97' ' ' ALA . . . . . 0.434 ' O ' ' O ' ' A' ' 96' ' ' VAL . . . 45.16 95.54 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.479 1.112 . . . . 0.0 109.313 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . 47.74 58.64 4.8 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.531 1.144 . . . . 0.0 109.302 179.992 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 99' ' ' ALA . . . . . 0.928 ' HB2' ' HB ' ' A' ' 96' ' ' VAL . . . -65.21 -68.63 0.35 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.478 1.111 . . . . 0.0 109.316 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . -106.08 59.93 0.39 Allowed Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.532 1.145 . . . . 0.0 110.989 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 1.1 ttp180 -70.78 -29.95 66.29 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.505 0.768 . . . . 0.0 110.319 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 10.5 pt-20 -58.52 -40.04 81.78 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.498 1.124 . . . . 0.0 110.326 179.954 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 103' ' ' LEU . . . . . 0.68 HD11 ' HG2' ' A' ' 40' ' ' LYS . 48.3 mt -40.76 -42.62 1.81 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.483 1.115 . . . . 0.0 109.294 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 104' ' ' PHE . . . . . 0.594 ' CE2' ' O ' ' A' ' 45' ' ' ILE . 48.7 m-85 -102.59 -51.2 3.37 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.52 1.138 . . . . 0.0 110.998 -179.973 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 105' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER 61.11 172.34 0.1 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.488 1.117 . . . . 0.0 110.994 -179.97 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 4.7 t -72.4 122.23 20.86 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.492 1.12 . . . . 0.0 110.389 -179.934 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 6.1 t70 -143.92 132.6 22.42 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.499 1.124 . . . . 0.0 109.278 -179.969 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -108.79 167.41 10.09 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.546 1.154 . . . . 0.0 110.326 179.97 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -156.93 139.11 14.6 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.484 1.115 . . . . 0.0 110.0 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . -76.18 116.6 4.81 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.54 1.15 . . . . 0.0 111.004 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 111' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.96 124.92 9.0 Favored 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.505 1.792 . . . . 0.0 111.007 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 51.28 67.18 0.99 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.503 1.127 . . . . 0.0 109.962 179.957 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 53.44 76.12 0.23 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.516 1.135 . . . . 0.0 109.965 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.001 0 O-C-N 124.497 1.123 . . . . 0.0 110.979 179.983 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.001 0 N-CA-C 111.017 -0.833 . . . . 0.0 111.017 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 37.8 t -172.93 93.86 0.11 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.553 0.796 . . . . 0.0 109.962 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 38.3 p 179.59 153.31 0.46 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.467 1.104 . . . . 0.0 110.018 179.983 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 159.21 100.18 0.16 Allowed Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.49 1.119 . . . . 0.0 111.015 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 179.44 81.31 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.506 0.768 . . . . 0.0 110.003 -179.961 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -109.69 -27.01 9.57 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.45 1.094 . . . . 0.0 109.935 -179.966 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 77.76 139.8 1.34 Allowed Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.5 1.125 . . . . 0.0 111.02 -179.963 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -106.49 117.42 57.12 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.5 0.765 . . . . 0.0 109.992 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 153.78 42.1 Favored 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.454 1.765 . . . . 0.0 111.038 179.944 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -172.0 153.5 19.69 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.462 1.102 . . . . 0.0 110.981 179.985 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 2.7 t-20 -161.05 108.69 1.51 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.456 0.739 . . . . 0.0 109.315 -179.975 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -119.22 118.79 32.24 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.525 1.141 . . . . 0.0 110.263 -179.972 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 4.5 tt0 -165.9 129.2 2.11 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.527 1.142 . . . . 0.0 110.284 179.985 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 6.1 t-20 -168.33 -61.2 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.516 1.135 . . . . 0.0 109.294 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -85.0 171.05 12.4 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.519 1.137 . . . . 0.0 109.31 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 16' ' ' GLU . . . . . 0.419 ' HA ' ' O ' ' A' ' 95' ' ' ILE . 17.9 mt-10 63.89 108.14 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.497 1.123 . . . . 0.0 110.304 -179.979 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 17' ' ' LYS . . . . . 0.452 ' CE ' HD11 ' A' ' 95' ' ' ILE . 0.6 OUTLIER -126.49 141.76 51.77 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.497 1.123 . . . . 0.0 109.279 -179.961 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -92.7 125.86 37.51 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.535 1.147 . . . . 0.0 109.298 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 19' ' ' VAL . . . . . 0.503 HG23 ' HB ' ' A' ' 93' ' ' ILE . 2.6 m -129.36 121.91 54.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.475 1.109 . . . . 0.0 109.286 -179.982 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 20' ' ' PHE . . . . . 0.59 ' CE2' ' OG1' ' A' ' 92' ' ' THR . 0.1 OUTLIER -100.89 115.96 31.64 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.514 1.134 . . . . 0.0 111.018 179.977 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 21' ' ' ILE . . . . . 0.502 HG21 HD12 ' A' ' 29' ' ' LEU . 33.1 mm -97.66 118.11 43.57 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 O-C-N 124.533 1.145 . . . . 0.0 109.309 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 18.2 p -112.87 104.31 12.3 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.418 1.074 . . . . 0.0 109.989 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.662 HD23 ' HA2' ' A' ' 28' ' ' GLY . 3.6 mp -79.14 78.19 5.61 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.506 1.129 . . . . 0.0 109.285 179.979 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 2.4 m -128.1 157.32 40.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.496 1.122 . . . . 0.0 109.337 179.974 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 53.55 -144.83 24.92 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.505 1.128 . . . . 0.0 110.997 -179.959 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 80.5 p -83.76 56.29 3.59 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.452 0.736 . . . . 0.0 109.994 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 19.2 mtm-85 -155.34 94.92 1.65 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.475 1.11 . . . . 0.0 110.315 179.979 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 28' ' ' GLY . . . . . 0.662 ' HA2' HD23 ' A' ' 23' ' ' LEU . . . -118.41 50.54 0.8 Allowed Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.479 1.112 . . . . 0.0 110.984 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 29' ' ' LEU . . . . . 0.502 HD12 HG21 ' A' ' 21' ' ' ILE . 0.8 OUTLIER 66.37 147.27 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.468 0.746 . . . . 0.0 109.273 179.967 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -146.49 22.83 1.69 Allowed Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.502 1.126 . . . . 0.0 110.987 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 31' ' ' CYS . . . . . 0.42 ' HA ' ' O ' ' A' ' 47' ' ' HIS . 24.6 p -111.74 148.15 34.11 Favored 'General case' 0 C--N 1.325 -0.482 0 N-CA-C 108.341 -0.985 . . . . 0.0 108.341 179.952 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -102.78 141.84 34.92 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.522 1.138 . . . . 0.0 109.996 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 33' ' ' ILE . . . . . 0.704 HD11 ' CG2' ' A' ' 82' ' ' VAL . 6.3 pt -117.92 145.92 23.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.522 1.138 . . . . 0.0 109.3 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -134.87 168.9 18.23 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.476 1.11 . . . . 0.0 109.989 -179.981 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 74.1 p -96.5 143.48 27.47 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.51 1.131 . . . . 0.0 110.018 179.977 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -95.32 164.7 24.68 Favored Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.521 1.138 . . . . 0.0 111.003 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.05 -172.04 1.15 Allowed 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.492 1.785 . . . . 0.0 110.962 -179.956 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 0.7 OUTLIER -72.18 -30.33 35.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.511 1.132 . . . . 0.0 109.325 -179.976 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 16.9 pt20 -78.09 -30.19 49.43 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.507 1.13 . . . . 0.0 110.3 179.978 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 40' ' ' LYS . . . . . 0.805 ' HG2' HD11 ' A' ' 103' ' ' LEU . 0.0 OUTLIER -136.01 61.57 41.31 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.5 1.125 . . . . 0.0 109.3 -179.996 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 41' ' ' PRO . . . . . 0.476 ' HD3' ' N ' ' A' ' 40' ' ' LYS . 18.2 Cg_endo -75.0 146.53 32.76 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.505 1.792 . . . . 0.0 110.992 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 142.6 -163.94 27.13 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.509 1.13 . . . . 0.0 110.983 179.954 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 7.5 mm -116.2 118.6 59.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.49 0.759 . . . . 0.0 109.252 -179.965 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 44' ' ' PHE . . . . . 0.573 ' N ' ' CD1' ' A' ' 44' ' ' PHE . 1.2 m-85 -126.63 140.24 52.57 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.521 1.138 . . . . 0.0 111.014 179.974 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 45' ' ' ILE . . . . . 0.527 ' O ' ' CZ ' ' A' ' 104' ' ' PHE . 25.5 mt -66.56 145.06 14.12 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.524 1.14 . . . . 0.0 109.288 -180.0 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 46' ' ' SER . . . . . 0.496 ' HA ' ' CE2' ' A' ' 104' ' ' PHE . 0.8 OUTLIER -108.88 -37.36 5.88 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.509 1.131 . . . . 0.0 109.964 -179.992 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 47' ' ' HIS . . . . . 0.42 ' O ' ' HA ' ' A' ' 31' ' ' CYS . 58.8 t-80 -160.27 154.86 23.91 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.482 1.114 . . . . 0.0 109.61 -179.961 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 1.2 p -150.16 127.51 2.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.46 1.1 . . . . 0.0 109.297 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 1.8 mttt -67.7 154.17 93.85 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.559 1.162 . . . . 0.0 109.283 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 130.11 12.94 Favored 'Trans proline' 0 C--N 1.361 1.19 0 O-C-N 124.45 1.763 . . . . 0.0 110.976 -179.983 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 76.7 2.91 77.8 Favored Glycine 0 CA--C 1.529 0.96 0 O-C-N 124.566 1.166 . . . . 0.0 111.016 -179.987 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 80.7 p -56.41 -163.71 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.456 0.739 . . . . 0.0 110.011 -179.972 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 53' ' ' LEU . . . . . 0.413 ' O ' ' CG ' ' A' ' 56' ' ' GLU . 32.0 tp -83.83 -20.85 32.47 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.5 1.125 . . . . 0.0 109.304 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 54' ' ' SER . . . . . 0.782 ' O ' HG22 ' A' ' 57' ' ' VAL . 3.8 m -94.56 -32.99 13.21 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.48 1.112 . . . . 0.0 109.974 -179.965 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -68.59 -30.67 69.48 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.492 1.12 . . . . 0.0 109.287 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 56' ' ' GLU . . . . . 0.453 ' HG3' HG13 ' A' ' 57' ' ' VAL . 2.8 pt-20 -63.84 -34.29 77.6 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.529 1.143 . . . . 0.0 110.309 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 57' ' ' VAL . . . . . 0.782 HG22 ' O ' ' A' ' 54' ' ' SER . 20.5 m -83.59 -21.3 8.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.482 1.114 . . . . 0.0 109.359 179.976 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 99.61 38.57 3.65 Favored Glycine 0 CA--C 1.531 1.045 0 O-C-N 124.52 1.138 . . . . 0.0 110.99 179.968 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 59' ' ' LEU . . . . . 0.598 HD12 ' HB3' ' A' ' 54' ' ' SER . 16.6 mt -85.91 141.57 29.47 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.573 0.807 . . . . 0.0 109.299 -179.983 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 25.0 mt-10 -135.13 172.25 13.28 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.523 1.14 . . . . 0.0 110.286 179.975 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 26.5 mt -67.5 124.15 22.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.481 1.113 . . . . 0.0 109.28 179.983 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 119.96 -35.16 3.91 Favored Glycine 0 CA--C 1.529 0.951 0 O-C-N 124.47 1.106 . . . . 0.0 110.966 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 63' ' ' ASP . . . . . 0.688 ' HB3' HD13 ' A' ' 95' ' ' ILE . 85.1 m-20 -47.02 98.87 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.514 0.773 . . . . 0.0 109.319 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 64' ' ' GLN . . . . . 0.666 ' HB3' ' HB3' ' A' ' 99' ' ' ALA . 44.4 tt0 -82.92 128.6 34.6 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.489 1.118 . . . . 0.0 110.277 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 65' ' ' ILE . . . . . 0.574 ' CG2' ' CG2' ' A' ' 68' ' ' VAL . 54.1 mt -78.27 113.0 16.93 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.47 1.106 . . . . 0.0 109.302 179.975 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 66' ' ' VAL . . . . . 0.947 HG22 ' O ' ' A' ' 94' ' ' SER . 16.8 m -101.93 -21.24 5.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.506 1.129 . . . . 0.0 109.304 179.976 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 67' ' ' GLU . . . . . 0.434 ' HG2' ' N ' ' A' ' 68' ' ' VAL . 29.0 tt0 -156.02 150.4 25.71 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.545 1.153 . . . . 0.0 110.321 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 68' ' ' VAL . . . . . 0.706 ' O ' HG23 ' A' ' 71' ' ' VAL . 64.4 t -148.74 117.85 1.07 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.472 1.108 . . . . 0.0 109.269 -179.959 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 69' ' ' ASN . . . . . 0.792 HD22 HD23 ' A' ' 91' ' ' LEU . 1.1 t-20 53.92 25.2 5.13 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.476 1.11 . . . . 0.0 109.336 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 88.38 19.18 53.48 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.486 1.116 . . . . 0.0 111.001 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 71' ' ' VAL . . . . . 0.706 HG23 ' O ' ' A' ' 68' ' ' VAL . 65.8 t -93.96 158.41 2.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.493 0.761 . . . . 0.0 109.264 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 7.0 t0 -93.19 89.29 6.38 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.473 1.108 . . . . 0.0 109.294 179.967 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 73' ' ' PHE . . . . . 0.872 ' CD1' HD12 ' A' ' 76' ' ' LEU . 4.8 m-85 -95.39 21.57 7.93 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.456 1.097 . . . . 0.0 110.992 -180.0 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -75.96 -30.46 58.63 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.507 1.129 . . . . 0.0 110.006 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 6.9 m-80 -143.24 46.32 1.53 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.537 1.148 . . . . 0.0 109.36 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 76' ' ' LEU . . . . . 0.872 HD12 ' CD1' ' A' ' 73' ' ' PHE . 5.0 mt -82.84 -165.48 1.07 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.456 1.098 . . . . 0.0 109.293 -179.947 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 19.4 t0 -131.57 169.15 16.52 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.469 1.106 . . . . 0.0 109.322 179.958 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 78' ' ' HIS . . . . . . . . . . . . . 61.4 t-80 -71.71 -6.92 44.74 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.535 1.147 . . . . 0.0 109.663 179.987 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 19.0 mttt -109.39 -34.77 6.44 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.494 1.121 . . . . 0.0 109.285 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 80' ' ' GLU . . . . . 0.709 ' CB ' HD22 ' A' ' 76' ' ' LEU . 1.8 mm-40 -79.66 -37.84 34.99 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.464 1.103 . . . . 0.0 110.306 -179.986 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 81' ' ' ALA . . . . . 0.488 ' HA ' HD13 ' A' ' 76' ' ' LEU . . . -70.88 -27.59 63.93 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.504 1.127 . . . . 0.0 109.337 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 82' ' ' VAL . . . . . 0.782 HG12 ' CE ' ' A' ' 86' ' ' LYS . 24.8 t -85.96 -38.48 12.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.458 1.099 . . . . 0.0 109.334 179.956 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 23.2 t-20 -65.25 -41.79 93.96 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.491 1.119 . . . . 0.0 109.301 179.976 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 84' ' ' VAL . . . . . 0.505 HG11 HG21 ' A' ' 71' ' ' VAL . 69.5 t -73.56 -26.9 22.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.54 1.15 . . . . 0.0 109.31 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 85' ' ' LEU . . . . . 0.427 HD12 ' O ' ' A' ' 81' ' ' ALA . 19.9 mt -80.7 -41.21 24.05 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.491 1.12 . . . . 0.0 109.306 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 86' ' ' LYS . . . . . 0.782 ' CE ' HG12 ' A' ' 82' ' ' VAL . 9.2 ptpt -83.46 -2.96 57.1 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.5 1.125 . . . . 0.0 109.257 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -56.12 -57.25 12.97 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.463 1.102 . . . . 0.0 110.046 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -127.54 -170.36 2.21 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.517 1.136 . . . . 0.0 109.966 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -98.94 -52.71 3.48 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.492 1.12 . . . . 0.0 110.295 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -90.17 110.82 21.83 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.459 1.099 . . . . 0.0 109.998 179.967 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 91' ' ' LEU . . . . . 0.792 HD23 HD22 ' A' ' 69' ' ' ASN . 1.1 mp -133.44 148.15 51.74 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.516 1.135 . . . . 0.0 109.308 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 92' ' ' THR . . . . . 0.59 ' OG1' ' CE2' ' A' ' 20' ' ' PHE . 67.4 m -102.84 100.9 10.93 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.49 1.119 . . . . 0.0 110.399 -179.975 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 93' ' ' ILE . . . . . 0.503 ' HB ' HG23 ' A' ' 19' ' ' VAL . 18.8 mt -89.23 137.47 21.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.474 1.109 . . . . 0.0 109.34 179.982 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 94' ' ' SER . . . . . 0.947 ' O ' HG22 ' A' ' 66' ' ' VAL . 0.3 OUTLIER -122.65 102.72 8.22 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.511 1.132 . . . . 0.0 109.968 -179.941 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 95' ' ' ILE . . . . . 0.688 HD13 ' HB3' ' A' ' 63' ' ' ASP . 1.4 pt -99.96 177.84 0.69 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.459 1.099 . . . . 0.0 109.342 179.96 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 96' ' ' VAL . . . . . 0.929 ' HB ' ' HB2' ' A' ' 99' ' ' ALA . 84.8 t -115.78 35.37 1.02 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.468 1.105 . . . . 0.0 109.32 -179.973 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 97' ' ' ALA . . . . . 0.403 ' O ' ' O ' ' A' ' 96' ' ' VAL . . . 45.13 93.69 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.486 1.116 . . . . 0.0 109.274 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . 45.46 58.98 3.82 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.546 1.154 . . . . 0.0 109.273 180.0 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 99' ' ' ALA . . . . . 0.929 ' HB2' ' HB ' ' A' ' 96' ' ' VAL . . . -61.76 -73.05 0.11 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.489 1.118 . . . . 0.0 109.287 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . -104.1 56.85 0.55 Allowed Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.455 1.097 . . . . 0.0 110.967 -179.977 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 7.0 ptt180 -72.39 -24.6 61.27 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.541 0.789 . . . . 0.0 110.286 179.968 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 10.8 pt-20 -56.02 -24.71 40.92 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.484 1.115 . . . . 0.0 110.269 -179.97 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 103' ' ' LEU . . . . . 0.805 HD11 ' HG2' ' A' ' 40' ' ' LYS . 82.4 mt -56.48 -41.39 76.51 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.466 1.104 . . . . 0.0 109.324 179.976 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 104' ' ' PHE . . . . . 0.527 ' CZ ' ' O ' ' A' ' 45' ' ' ILE . 4.2 m-85 -103.44 47.27 0.89 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.498 1.124 . . . . 0.0 111.002 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 105' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -64.45 108.97 1.79 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.491 1.119 . . . . 0.0 111.0 -179.971 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 53.1 m 61.46 148.87 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.528 1.143 . . . . 0.0 110.377 179.977 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -176.99 115.73 0.1 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.455 1.097 . . . . 0.0 109.304 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -70.49 -24.86 62.93 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.488 1.117 . . . . 0.0 110.309 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER 69.14 -78.77 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.522 1.139 . . . . 0.0 109.971 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 122.19 159.62 10.68 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.438 1.086 . . . . 0.0 111.003 -179.98 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 111' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 -52.28 0.11 Allowed 'Trans proline' 0 C--N 1.359 1.13 0 O-C-N 124.52 1.8 . . . . 0.0 111.021 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 3.0 m 60.02 105.98 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.534 1.146 . . . . 0.0 110.003 179.969 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 5.2 m -105.8 101.02 10.56 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.505 1.128 . . . . 0.0 109.999 -179.987 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.976 0 O-C-N 124.498 1.124 . . . . 0.0 111.027 179.984 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.992 0 N-CA-C 111.003 -0.839 . . . . 0.0 111.003 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 62.25 167.21 0.11 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.474 0.749 . . . . 0.0 110.022 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 7.3 t 65.65 149.01 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.486 1.116 . . . . 0.0 110.046 -179.921 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -179.11 172.53 44.67 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.509 1.131 . . . . 0.0 110.999 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -145.8 163.52 34.74 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.488 0.758 . . . . 0.0 110.011 179.982 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 58.6 p -121.89 30.3 6.71 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.518 1.137 . . . . 0.0 110.038 -180.0 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 154.75 142.61 3.48 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.533 1.146 . . . . 0.0 110.978 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -122.55 128.32 25.48 Favored Pre-proline 0 C--N 1.326 -0.456 0 O-C-N 124.511 0.771 . . . . 0.0 110.008 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 158.43 42.12 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.516 1.798 . . . . 0.0 111.029 179.978 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -167.62 96.75 0.13 Allowed Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.512 1.132 . . . . 0.0 110.989 -179.98 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 8.9 t-20 -163.95 -56.83 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.535 0.785 . . . . 0.0 109.326 179.964 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 5.8 mtp180 42.56 92.72 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.488 1.118 . . . . 0.0 110.298 179.976 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -113.79 111.58 22.0 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.531 1.144 . . . . 0.0 110.298 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -175.98 -63.84 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.467 1.104 . . . . 0.0 109.304 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 11.1 mttt -69.45 170.63 10.15 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.555 1.16 . . . . 0.0 109.297 179.97 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 24.2 mt-10 48.7 91.82 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.538 1.149 . . . . 0.0 110.344 -179.962 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 17' ' ' LYS . . . . . 0.412 ' CG ' HG13 ' A' ' 95' ' ' ILE . 0.0 OUTLIER -106.14 154.48 20.62 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.532 1.145 . . . . 0.0 109.31 -179.986 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 18' ' ' LYS . . . . . 0.419 ' HD3' HG23 ' A' ' 92' ' ' THR . 0.0 OUTLIER -107.57 114.02 27.72 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.479 1.112 . . . . 0.0 109.274 -179.983 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 1.0 OUTLIER -118.03 131.86 69.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.499 1.124 . . . . 0.0 109.321 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 20' ' ' PHE . . . . . 0.559 ' CE2' ' OG1' ' A' ' 92' ' ' THR . 3.7 t80 -107.32 111.97 24.58 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.498 1.124 . . . . 0.0 110.983 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 21' ' ' ILE . . . . . 0.471 ' CD1' ' O ' ' A' ' 53' ' ' LEU . 25.3 mm -103.19 112.02 35.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.515 1.134 . . . . 0.0 109.315 179.969 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 22' ' ' SER . . . . . 0.836 ' O ' HD11 ' A' ' 53' ' ' LEU . 8.3 t -114.68 122.93 47.98 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.536 1.147 . . . . 0.0 109.996 179.981 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 3.0 mm? -83.05 58.35 4.37 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.465 1.103 . . . . 0.0 109.314 179.983 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 2.5 m -126.47 163.32 28.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.502 1.126 . . . . 0.0 109.331 179.961 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 25' ' ' GLY . . . . . 0.426 ' O ' ' N ' ' A' ' 27' ' ' ARG . . . 54.56 178.15 0.15 Allowed Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.482 1.114 . . . . 0.0 110.98 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 2.8 m -64.57 77.62 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.511 0.771 . . . . 0.0 110.031 179.943 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 27' ' ' ARG . . . . . 0.426 ' N ' ' O ' ' A' ' 25' ' ' GLY . 0.4 OUTLIER -173.27 122.16 0.37 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.505 1.128 . . . . 0.0 110.269 -179.98 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 28' ' ' GLY . . . . . 0.41 ' O ' ' C ' ' A' ' 29' ' ' LEU . . . -134.12 138.37 10.02 Favored Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.459 1.099 . . . . 0.0 111.005 179.971 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 29' ' ' LEU . . . . . 0.41 ' C ' ' O ' ' A' ' 28' ' ' GLY . 0.8 OUTLIER -39.89 129.96 2.05 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.465 0.744 . . . . 0.0 109.296 179.984 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -128.64 35.56 2.63 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.538 1.149 . . . . 0.0 110.99 179.978 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 31' ' ' CYS . . . . . 0.442 ' HA ' ' O ' ' A' ' 47' ' ' HIS . 27.4 p -125.74 149.49 48.49 Favored 'General case' 0 C--N 1.325 -0.468 0 N-CA-C 108.308 -0.997 . . . . 0.0 108.308 179.978 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -108.34 140.44 41.61 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.442 1.089 . . . . 0.0 110.051 179.945 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 4.0 pt -105.02 152.34 6.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.51 1.131 . . . . 0.0 109.315 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -127.84 169.69 13.63 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.476 1.11 . . . . 0.0 110.005 -179.977 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 93.4 p -105.1 142.43 34.9 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.487 1.117 . . . . 0.0 109.998 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -96.61 161.49 22.1 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.468 1.105 . . . . 0.0 110.971 -179.977 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 -172.82 1.36 Allowed 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.486 1.782 . . . . 0.0 111.028 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 0.8 OUTLIER -71.56 -30.27 38.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.503 1.127 . . . . 0.0 109.253 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 11.9 pt20 -78.09 -28.71 48.78 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.489 1.118 . . . . 0.0 110.306 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 40' ' ' LYS . . . . . 0.455 ' N ' ' HD3' ' A' ' 41' ' ' PRO . 27.6 tttt -138.85 62.46 27.46 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.475 1.109 . . . . 0.0 109.347 179.954 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 41' ' ' PRO . . . . . 0.455 ' HD3' ' N ' ' A' ' 40' ' ' LYS . 18.2 Cg_endo -75.01 145.14 31.05 Favored 'Trans proline' 0 C--N 1.361 1.186 0 O-C-N 124.539 1.81 . . . . 0.0 110.971 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 150.83 -158.9 27.9 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.497 1.123 . . . . 0.0 110.973 179.974 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 43' ' ' ILE . . . . . 0.42 HG22 HD12 ' A' ' 65' ' ' ILE . 7.9 mm -126.74 121.58 58.74 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.492 0.76 . . . . 0.0 109.264 -179.927 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 44' ' ' PHE . . . . . 0.575 ' CD2' ' HB2' ' A' ' 64' ' ' GLN . 2.3 m-85 -128.48 146.33 50.84 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.489 1.118 . . . . 0.0 110.989 -179.979 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 45' ' ' ILE . . . . . 0.408 ' O ' ' CZ ' ' A' ' 104' ' ' PHE . 14.6 mt -71.06 138.41 21.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.519 1.137 . . . . 0.0 109.319 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -104.77 -36.76 7.3 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.506 1.129 . . . . 0.0 109.994 -179.949 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 47' ' ' HIS . . . . . 0.442 ' O ' ' HA ' ' A' ' 31' ' ' CYS . 43.3 t-80 -154.91 147.47 24.19 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.491 1.12 . . . . 0.0 109.563 -179.989 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 48' ' ' VAL . . . . . 0.4 ' CG2' ' HB2' ' A' ' 54' ' ' SER . 0.8 OUTLIER -150.93 121.89 1.04 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.527 1.142 . . . . 0.0 109.293 -179.98 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 49' ' ' LYS . . . . . 0.795 ' O ' ' HB2' ' A' ' 55' ' ' ALA . 9.9 mtpt -67.78 156.92 88.05 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.491 1.119 . . . . 0.0 109.273 -179.968 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 -21.7 15.61 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.476 1.777 . . . . 0.0 110.995 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -118.37 53.54 0.65 Allowed Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.546 1.154 . . . . 0.0 111.003 -179.983 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 13.8 p -120.41 -179.59 4.01 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.494 0.761 . . . . 0.0 109.976 -179.965 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 53' ' ' LEU . . . . . 0.836 HD11 ' O ' ' A' ' 22' ' ' SER . 0.4 OUTLIER -73.26 -9.8 59.09 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.502 1.126 . . . . 0.0 109.322 179.983 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 54' ' ' SER . . . . . 1.021 ' O ' HG22 ' A' ' 57' ' ' VAL . 0.9 OUTLIER -96.35 -55.16 3.03 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.516 1.135 . . . . 0.0 110.004 -179.999 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 55' ' ' ALA . . . . . 0.795 ' HB2' ' O ' ' A' ' 49' ' ' LYS . . . -51.78 -39.34 58.47 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.508 1.13 . . . . 0.0 109.312 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 56' ' ' GLU . . . . . 0.631 ' HG3' HG13 ' A' ' 57' ' ' VAL . 3.0 pt-20 -55.24 -29.58 58.31 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.485 1.116 . . . . 0.0 110.318 179.971 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 57' ' ' VAL . . . . . 1.021 HG22 ' O ' ' A' ' 54' ' ' SER . 3.2 m -91.87 -22.76 5.95 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.512 1.133 . . . . 0.0 109.3 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 101.29 39.43 3.04 Favored Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.53 1.144 . . . . 0.0 111.032 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 59' ' ' LEU . . . . . 0.564 HD12 ' HB3' ' A' ' 54' ' ' SER . 15.6 mt -85.62 140.91 30.2 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.498 0.764 . . . . 0.0 109.32 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 32.4 mt-10 -138.45 164.53 29.13 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.489 1.118 . . . . 0.0 110.353 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 39.7 mt -59.88 126.6 17.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.472 1.107 . . . . 0.0 109.294 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 122.73 -35.64 3.37 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.518 1.136 . . . . 0.0 110.989 179.974 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 63' ' ' ASP . . . . . 0.565 ' HB3' HD13 ' A' ' 95' ' ' ILE . 72.5 m-20 -49.94 98.08 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.468 0.746 . . . . 0.0 109.301 -179.979 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 64' ' ' GLN . . . . . 0.575 ' HB2' ' CD2' ' A' ' 44' ' ' PHE . 58.2 tt0 -83.05 123.07 29.13 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.501 1.126 . . . . 0.0 110.319 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 65' ' ' ILE . . . . . 0.617 ' CG2' ' CG2' ' A' ' 68' ' ' VAL . 2.6 mt -76.99 109.49 11.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.504 1.127 . . . . 0.0 109.275 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 66' ' ' VAL . . . . . 0.628 HG22 ' O ' ' A' ' 94' ' ' SER . 23.3 m -100.75 -24.34 4.13 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.472 1.107 . . . . 0.0 109.278 179.976 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 67' ' ' GLU . . . . . 0.442 ' HG2' ' N ' ' A' ' 68' ' ' VAL . 29.6 tt0 -149.8 148.7 29.5 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.441 1.088 . . . . 0.0 110.318 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 68' ' ' VAL . . . . . 0.723 ' O ' HG23 ' A' ' 71' ' ' VAL . 95.3 t -148.25 121.56 1.8 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.5 1.125 . . . . 0.0 109.311 179.98 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 69' ' ' ASN . . . . . 0.774 ' ND2' HD23 ' A' ' 91' ' ' LEU . 1.1 t-20 51.07 26.46 2.8 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.538 1.149 . . . . 0.0 109.301 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 86.47 22.28 48.04 Favored Glycine 0 CA--C 1.529 0.959 0 O-C-N 124.488 1.117 . . . . 0.0 111.023 -179.954 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 71' ' ' VAL . . . . . 0.723 HG23 ' O ' ' A' ' 68' ' ' VAL . 81.3 t -96.17 158.76 3.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.479 0.752 . . . . 0.0 109.328 179.958 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 3.0 t0 -93.83 91.24 6.86 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.457 1.098 . . . . 0.0 109.309 -179.983 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 73' ' ' PHE . . . . . 0.842 ' CD1' HD12 ' A' ' 76' ' ' LEU . 5.1 m-85 -96.91 17.47 16.75 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.466 1.104 . . . . 0.0 111.04 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -67.48 -30.59 70.32 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.505 1.128 . . . . 0.0 110.024 179.97 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 75.4 m-20 -148.79 56.02 1.02 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.476 1.11 . . . . 0.0 109.332 -179.977 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 76' ' ' LEU . . . . . 0.842 HD12 ' CD1' ' A' ' 73' ' ' PHE . 6.3 mt -89.59 -166.99 1.73 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.496 1.123 . . . . 0.0 109.312 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 37.3 t70 -130.73 170.38 14.43 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.453 1.095 . . . . 0.0 109.315 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 78' ' ' HIS . . . . . . . . . . . . . 64.6 t-80 -71.59 -6.67 42.57 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.492 1.12 . . . . 0.0 109.567 -179.987 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 4.1 mmtt -108.62 -37.18 5.99 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.486 1.116 . . . . 0.0 109.294 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 80' ' ' GLU . . . . . 0.705 ' CB ' HD22 ' A' ' 76' ' ' LEU . 3.0 mm-40 -78.42 -38.6 41.11 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.526 1.141 . . . . 0.0 110.284 -179.979 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 81' ' ' ALA . . . . . 0.464 ' HA ' HD13 ' A' ' 76' ' ' LEU . . . -69.8 -30.89 68.54 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.46 1.1 . . . . 0.0 109.288 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 82' ' ' VAL . . . . . 0.813 HG12 ' CE ' ' A' ' 86' ' ' LYS . 11.5 t -79.63 -48.05 21.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.535 1.147 . . . . 0.0 109.333 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 45.0 t30 -54.66 -45.94 73.91 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.5 1.125 . . . . 0.0 109.31 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 84' ' ' VAL . . . . . 0.56 HG11 ' HE1' ' A' ' 73' ' ' PHE . 71.2 t -67.81 -24.97 31.46 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 O-C-N 124.522 1.139 . . . . 0.0 109.288 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 85' ' ' LEU . . . . . 0.419 HD23 ' HA ' ' A' ' 85' ' ' LEU . 15.2 mt -81.05 -40.41 24.24 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.546 1.154 . . . . 0.0 109.332 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 86' ' ' LYS . . . . . 0.813 ' CE ' HG12 ' A' ' 82' ' ' VAL . 0.9 OUTLIER -84.49 -1.51 55.85 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.484 1.115 . . . . 0.0 109.271 -179.987 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 9.3 t -55.66 -66.67 0.38 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.447 1.092 . . . . 0.0 109.987 -179.982 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 88' ' ' SER . . . . . 0.855 ' O ' HD11 ' A' ' 91' ' ' LEU . 0.5 OUTLIER -128.77 176.74 7.58 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.508 1.13 . . . . 0.0 109.994 179.969 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 21.9 mmt85 -82.53 -58.22 3.01 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.489 1.118 . . . . 0.0 110.28 -179.932 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -78.94 108.97 12.81 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.535 1.147 . . . . 0.0 109.986 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 91' ' ' LEU . . . . . 0.855 HD11 ' O ' ' A' ' 88' ' ' SER . 1.1 mt -133.08 143.58 49.42 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.556 1.16 . . . . 0.0 109.334 179.954 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 92' ' ' THR . . . . . 0.559 ' OG1' ' CE2' ' A' ' 20' ' ' PHE . 18.8 m -103.82 100.95 10.76 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.564 1.165 . . . . 0.0 110.427 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 93' ' ' ILE . . . . . 0.548 HG23 HG23 ' A' ' 65' ' ' ILE . 15.4 mt -89.48 132.77 33.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.529 1.143 . . . . 0.0 109.329 180.0 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 94' ' ' SER . . . . . 0.628 ' O ' HG22 ' A' ' 66' ' ' VAL . 0.5 OUTLIER -114.82 102.83 10.37 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.461 1.101 . . . . 0.0 110.019 179.998 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 95' ' ' ILE . . . . . 0.565 HD13 ' HB3' ' A' ' 63' ' ' ASP . 1.6 pt -104.82 167.46 2.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.497 1.123 . . . . 0.0 109.345 179.966 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 96' ' ' VAL . . . . . 0.87 ' HB ' ' HB2' ' A' ' 99' ' ' ALA . 73.3 t -104.87 29.56 0.89 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.481 1.113 . . . . 0.0 109.304 -179.977 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 97' ' ' ALA . . . . . 0.415 ' O ' ' O ' ' A' ' 96' ' ' VAL . . . 45.29 94.58 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.522 1.139 . . . . 0.0 109.268 179.978 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . 53.44 54.88 9.43 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.487 1.117 . . . . 0.0 109.271 179.958 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 99' ' ' ALA . . . . . 0.87 ' HB2' ' HB ' ' A' ' 96' ' ' VAL . . . -62.77 -69.92 0.23 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.515 1.134 . . . . 0.0 109.273 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . -102.59 59.71 0.54 Allowed Glycine 0 CA--C 1.529 0.954 0 O-C-N 124.514 1.134 . . . . 0.0 111.019 -179.99 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -71.19 -25.43 62.52 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.494 0.761 . . . . 0.0 110.279 -179.974 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -66.88 -27.52 67.58 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.534 1.146 . . . . 0.0 110.275 -179.982 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 103' ' ' LEU . . . . . 0.456 HD23 ' HA ' ' A' ' 103' ' ' LEU . 14.8 mt -53.93 -38.94 65.43 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.462 1.101 . . . . 0.0 109.306 179.969 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 104' ' ' PHE . . . . . 0.408 ' CZ ' ' O ' ' A' ' 45' ' ' ILE . 49.0 m-85 -105.22 54.29 0.71 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.481 1.113 . . . . 0.0 111.022 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 105' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -78.09 -57.96 3.51 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.469 1.106 . . . . 0.0 111.035 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 17.7 m 63.08 115.87 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.523 1.139 . . . . 0.0 110.43 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 15.9 p-10 -124.68 139.91 53.43 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.483 1.114 . . . . 0.0 109.346 -179.987 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 5.1 mtt180 -177.83 150.51 0.64 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.492 1.12 . . . . 0.0 110.292 -179.98 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 52.6 p -98.27 136.94 37.74 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.463 1.102 . . . . 0.0 109.997 179.986 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 124.46 91.59 0.93 Allowed Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.558 1.161 . . . . 0.0 111.026 -179.973 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 111' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 138.84 23.54 Favored 'Trans proline' 0 C--N 1.359 1.124 0 O-C-N 124.523 1.802 . . . . 0.0 111.012 -179.987 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 7.8 t -142.75 126.02 16.53 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.523 1.139 . . . . 0.0 110.046 179.981 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -94.85 127.37 40.82 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.504 1.127 . . . . 0.0 109.975 -179.973 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.991 0 O-C-N 124.548 1.155 . . . . 0.0 111.013 179.973 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.02 0 N-CA-C 111.029 -0.829 . . . . 0.0 111.029 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.6 t -147.04 159.64 43.34 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.526 0.78 . . . . 0.0 110.001 179.947 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 48.2 t 58.16 100.31 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.51 1.131 . . . . 0.0 109.977 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 158.46 138.05 2.4 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.565 1.165 . . . . 0.0 110.99 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 47.2 p -131.47 150.45 52.15 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.439 0.729 . . . . 0.0 110.005 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 8.1 t -91.36 -26.98 18.64 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.46 1.1 . . . . 0.0 109.976 -179.989 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 56.16 164.95 0.04 OUTLIER Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.51 1.131 . . . . 0.0 111.001 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 23.0 t -102.64 123.09 43.81 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.473 0.749 . . . . 0.0 109.964 -179.938 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 -53.23 0.1 Allowed 'Trans proline' 0 C--N 1.359 1.109 0 O-C-N 124.494 1.786 . . . . 0.0 111.017 179.96 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 73.05 109.57 0.06 OUTLIER Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.504 1.127 . . . . 0.0 111.016 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -100.38 118.9 37.58 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.553 0.796 . . . . 0.0 109.315 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 175.62 117.86 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.502 1.126 . . . . 0.0 110.297 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 1.4 mt-10 -175.38 108.74 0.1 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.496 1.122 . . . . 0.0 110.317 -179.956 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 68.4 m-80 -73.69 -54.65 7.61 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.52 1.138 . . . . 0.0 109.33 179.974 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -74.7 170.4 15.91 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.482 1.114 . . . . 0.0 109.268 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 18.3 mt-10 53.54 95.09 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.506 1.129 . . . . 0.0 110.298 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 17' ' ' LYS . . . . . 0.863 ' HE2' HD11 ' A' ' 95' ' ' ILE . 0.0 OUTLIER -116.19 144.87 43.61 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.453 1.095 . . . . 0.0 109.287 -180.0 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -92.64 135.27 34.23 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.518 1.136 . . . . 0.0 109.278 179.974 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 19' ' ' VAL . . . . . 0.435 HG23 ' O ' ' A' ' 93' ' ' ILE . 0.1 OUTLIER -135.46 116.84 19.87 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.451 1.095 . . . . 0.0 109.271 179.986 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 0.9 OUTLIER -95.01 110.49 22.39 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.46 1.1 . . . . 0.0 111.009 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 21' ' ' ILE . . . . . 0.676 HG21 ' CD1' ' A' ' 29' ' ' LEU . 28.5 mm -105.61 109.78 28.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.535 1.147 . . . . 0.0 109.298 -180.0 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 22' ' ' SER . . . . . 0.484 ' O ' HD21 ' A' ' 53' ' ' LEU . 55.8 p -112.94 134.78 54.29 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.528 1.143 . . . . 0.0 109.978 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.531 HD13 ' HA2' ' A' ' 28' ' ' GLY . 2.9 mm? -71.36 65.15 0.42 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.496 1.123 . . . . 0.0 109.309 179.974 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 24' ' ' VAL . . . . . 0.584 HG23 ' N ' ' A' ' 25' ' ' GLY . 1.4 m -140.8 -165.04 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.536 1.148 . . . . 0.0 109.268 -179.966 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 25' ' ' GLY . . . . . 0.584 ' N ' HG23 ' A' ' 24' ' ' VAL . . . 50.39 46.77 44.74 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.519 1.137 . . . . 0.0 111.016 179.967 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 83.1 p 41.04 74.75 0.1 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.468 0.746 . . . . 0.0 110.049 -179.961 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 1.5 mtm180 -167.0 160.75 14.42 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.484 1.115 . . . . 0.0 110.33 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 28' ' ' GLY . . . . . 0.531 ' HA2' HD13 ' A' ' 23' ' ' LEU . . . -145.06 29.89 1.8 Allowed Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.553 1.158 . . . . 0.0 111.012 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 29' ' ' LEU . . . . . 0.676 ' CD1' HG21 ' A' ' 21' ' ' ILE . 1.1 tp 72.94 130.89 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.505 0.768 . . . . 0.0 109.321 -179.963 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -127.43 25.68 5.07 Favored Glycine 0 CA--C 1.529 0.947 0 O-C-N 124.558 1.161 . . . . 0.0 111.039 179.959 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 31' ' ' CYS . . . . . 0.498 ' HG ' ' HG ' ' A' ' 54' ' ' SER . 26.4 p -112.7 146.79 38.09 Favored 'General case' 0 C--N 1.325 -0.469 0 N-CA-C 108.297 -1.001 . . . . 0.0 108.297 -179.984 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -108.77 138.66 44.74 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.533 1.146 . . . . 0.0 110.03 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 33' ' ' ILE . . . . . 0.541 HD11 HG23 ' A' ' 82' ' ' VAL . 11.5 pt -106.29 146.55 12.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.515 1.134 . . . . 0.0 109.275 -179.936 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 53.6 p -128.43 160.05 33.49 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.522 1.139 . . . . 0.0 109.98 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 22.1 p -89.32 147.87 23.86 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.473 1.108 . . . . 0.0 109.968 -179.984 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -100.59 161.82 18.77 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.519 1.137 . . . . 0.0 110.994 179.976 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 -170.63 0.81 Allowed 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.47 1.774 . . . . 0.0 111.011 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 0.8 OUTLIER -73.19 -30.35 30.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.507 1.13 . . . . 0.0 109.332 179.983 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 4.2 pt20 -78.2 -29.66 48.54 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.433 1.083 . . . . 0.0 110.315 179.979 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 40' ' ' LYS . . . . . 0.95 ' HG2' HD11 ' A' ' 103' ' ' LEU . 0.4 OUTLIER -137.19 61.91 35.74 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.548 1.155 . . . . 0.0 109.31 179.953 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 41' ' ' PRO . . . . . 0.467 ' HD3' ' N ' ' A' ' 40' ' ' LYS . 18.1 Cg_endo -75.03 146.75 32.92 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.522 1.801 . . . . 0.0 110.982 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 141.67 -160.24 26.96 Favored Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.461 1.101 . . . . 0.0 110.988 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 11.7 mm -115.23 124.95 72.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.548 0.793 . . . . 0.0 109.322 179.96 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 44' ' ' PHE . . . . . 0.594 ' CD2' HD12 ' A' ' 103' ' ' LEU . 3.4 m-85 -132.78 136.92 46.61 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.509 1.131 . . . . 0.0 111.017 179.958 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 45' ' ' ILE . . . . . 0.461 ' O ' ' CE2' ' A' ' 104' ' ' PHE . 8.4 mt -63.06 143.38 15.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.498 1.124 . . . . 0.0 109.286 -179.963 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 5.7 p -111.95 -36.19 5.47 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.548 1.155 . . . . 0.0 109.997 -179.984 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 47' ' ' HIS . . . . . 0.433 ' O ' ' HA ' ' A' ' 31' ' ' CYS . 63.4 t-80 -157.17 149.11 22.59 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.518 1.136 . . . . 0.0 109.622 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -150.53 119.33 0.89 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.506 1.129 . . . . 0.0 109.339 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 4.9 mtpt -68.08 152.03 96.76 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.531 1.144 . . . . 0.0 109.28 -179.967 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 134.4 17.8 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.546 1.814 . . . . 0.0 111.022 179.967 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 81.01 -6.65 62.04 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.537 1.148 . . . . 0.0 111.03 -179.962 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 58.5 p -55.97 -169.75 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.514 0.773 . . . . 0.0 110.005 179.977 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 53' ' ' LEU . . . . . 0.538 ' HG ' HG23 ' A' ' 21' ' ' ILE . 12.1 tp -76.63 -18.75 58.42 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.457 1.098 . . . . 0.0 109.269 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 54' ' ' SER . . . . . 0.951 ' O ' HG22 ' A' ' 57' ' ' VAL . 1.1 m -95.62 -46.06 6.79 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.549 1.156 . . . . 0.0 110.004 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -58.79 -35.5 72.92 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.515 1.134 . . . . 0.0 109.298 -179.985 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 56' ' ' GLU . . . . . 0.617 ' HG3' HG13 ' A' ' 57' ' ' VAL . 2.8 pt-20 -59.95 -30.04 68.81 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.46 1.1 . . . . 0.0 110.291 179.979 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 57' ' ' VAL . . . . . 0.951 HG22 ' O ' ' A' ' 54' ' ' SER . 4.1 m -90.84 -14.98 8.62 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.457 1.098 . . . . 0.0 109.293 -179.969 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 96.39 27.43 9.93 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.52 1.138 . . . . 0.0 111.004 179.976 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 59' ' ' LEU . . . . . 0.57 HD23 ' OD2' ' A' ' 63' ' ' ASP . 10.9 mt -75.3 141.74 43.36 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.497 0.763 . . . . 0.0 109.307 179.977 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 29.9 mt-10 -140.54 171.93 13.43 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.537 1.148 . . . . 0.0 110.326 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 61' ' ' ILE . . . . . 0.412 ' O ' ' CG ' ' A' ' 101' ' ' ARG . 30.9 mt -67.12 132.53 32.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.499 1.124 . . . . 0.0 109.328 179.957 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 113.85 -32.75 5.83 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.471 1.107 . . . . 0.0 110.974 179.968 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 63' ' ' ASP . . . . . 0.593 ' CG ' HD13 ' A' ' 95' ' ' ILE . 43.2 m-20 -52.55 98.98 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.47 0.747 . . . . 0.0 109.318 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 64' ' ' GLN . . . . . 0.58 ' HB2' ' CD2' ' A' ' 44' ' ' PHE . 41.7 tt0 -82.65 122.61 28.35 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.511 1.132 . . . . 0.0 110.303 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 65' ' ' ILE . . . . . 0.604 ' CG2' ' CG2' ' A' ' 68' ' ' VAL . 92.5 mt -73.96 108.19 5.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.509 1.131 . . . . 0.0 109.259 -179.969 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 66' ' ' VAL . . . . . 0.785 HG22 ' O ' ' A' ' 94' ' ' SER . 12.8 m -96.66 -23.28 4.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.534 1.146 . . . . 0.0 109.275 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 67' ' ' GLU . . . . . 0.427 ' HA ' ' O ' ' A' ' 71' ' ' VAL . 38.0 tt0 -152.47 154.42 35.47 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.503 1.127 . . . . 0.0 110.299 179.973 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 68' ' ' VAL . . . . . 0.604 ' CG2' ' CG2' ' A' ' 65' ' ' ILE . 77.4 t -152.32 114.6 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 O-C-N 124.478 1.111 . . . . 0.0 109.29 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 69' ' ' ASN . . . . . 0.864 ' ND2' HD23 ' A' ' 91' ' ' LEU . 1.5 t-20 58.83 17.04 4.92 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.573 1.171 . . . . 0.0 109.348 -179.97 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 100.13 -1.2 56.21 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.5 1.125 . . . . 0.0 110.976 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 71' ' ' VAL . . . . . 0.464 HG21 ' CG1' ' A' ' 84' ' ' VAL . 58.4 t -75.87 145.16 11.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.494 0.761 . . . . 0.0 109.293 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 2.1 t0 -84.17 91.16 7.64 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.488 1.118 . . . . 0.0 109.316 -179.969 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 73' ' ' PHE . . . . . 0.803 ' CD1' HD12 ' A' ' 76' ' ' LEU . 3.1 m-85 -88.15 35.52 0.75 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.525 1.141 . . . . 0.0 111.0 -179.94 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 2.8 t -70.34 -65.49 0.72 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.5 1.125 . . . . 0.0 109.977 -179.945 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 2.4 m-80 -119.18 54.79 0.96 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.502 1.126 . . . . 0.0 109.246 -179.952 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 76' ' ' LEU . . . . . 0.803 HD12 ' CD1' ' A' ' 73' ' ' PHE . 6.6 mt -81.42 -166.38 1.16 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.454 1.096 . . . . 0.0 109.315 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 28.7 t70 -135.68 169.52 17.42 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.534 1.147 . . . . 0.0 109.343 179.965 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 78' ' ' HIS . . . . . . . . . . . . . 61.3 t-80 -70.58 -7.18 42.06 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.462 1.101 . . . . 0.0 109.581 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -108.22 -37.14 6.1 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.52 1.138 . . . . 0.0 109.315 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 80' ' ' GLU . . . . . 0.736 ' O ' HG23 ' A' ' 84' ' ' VAL . 2.7 mt-10 -76.53 -37.18 57.09 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.551 1.157 . . . . 0.0 110.292 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -72.66 -40.63 66.17 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.546 1.154 . . . . 0.0 109.281 179.977 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 82' ' ' VAL . . . . . 0.541 HG23 HD11 ' A' ' 33' ' ' ILE . 4.4 t -65.75 -52.17 53.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.495 1.122 . . . . 0.0 109.309 179.959 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 83' ' ' ASN . . . . . 0.462 ' HA ' ' CD ' ' A' ' 86' ' ' LYS . 6.7 t30 -53.43 -46.57 69.85 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.475 1.109 . . . . 0.0 109.298 -179.958 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 84' ' ' VAL . . . . . 0.736 HG23 ' O ' ' A' ' 80' ' ' GLU . 93.1 t -67.71 -22.13 28.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.445 1.09 . . . . 0.0 109.253 -179.97 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 25.3 mt -85.9 -31.56 22.12 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.491 1.119 . . . . 0.0 109.288 -179.97 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 86' ' ' LYS . . . . . 0.522 ' HD2' HG12 ' A' ' 82' ' ' VAL . 0.0 OUTLIER -97.2 -0.99 45.87 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.506 1.129 . . . . 0.0 109.346 179.971 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 87' ' ' SER . . . . . 0.458 ' N ' ' O ' ' A' ' 83' ' ' ASN . 8.5 t -53.18 -70.36 0.09 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.487 1.117 . . . . 0.0 110.032 -179.97 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 88' ' ' SER . . . . . 0.425 ' O ' HD11 ' A' ' 91' ' ' LEU . 0.4 OUTLIER -116.74 -178.71 3.49 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.495 1.122 . . . . 0.0 110.002 179.955 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 12.2 mmt85 -83.99 -56.76 3.5 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.523 1.139 . . . . 0.0 110.279 -179.98 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -85.78 117.66 24.79 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.475 1.109 . . . . 0.0 110.035 179.976 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 91' ' ' LEU . . . . . 0.864 HD23 ' ND2' ' A' ' 69' ' ' ASN . 1.1 mt -135.68 147.29 48.48 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.463 1.102 . . . . 0.0 109.293 179.958 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 92.7 m -109.93 101.18 10.04 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.45 1.094 . . . . 0.0 110.365 -179.952 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 93' ' ' ILE . . . . . 0.435 ' O ' HG23 ' A' ' 19' ' ' VAL . 11.2 mt -89.07 136.15 24.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.481 1.113 . . . . 0.0 109.28 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 94' ' ' SER . . . . . 0.785 ' O ' HG22 ' A' ' 66' ' ' VAL . 0.3 OUTLIER -118.74 103.89 10.08 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.491 1.119 . . . . 0.0 110.011 -179.994 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 95' ' ' ILE . . . . . 0.863 HD11 ' HE2' ' A' ' 17' ' ' LYS . 1.1 pt -100.52 174.56 0.98 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.466 1.104 . . . . 0.0 109.35 179.985 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 96' ' ' VAL . . . . . 0.91 ' HB ' ' HB2' ' A' ' 99' ' ' ALA . 68.9 t -114.3 31.75 1.56 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.49 1.119 . . . . 0.0 109.303 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 97' ' ' ALA . . . . . 0.555 ' H ' HD12 ' A' ' 95' ' ' ILE . . . 45.24 96.15 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.548 1.155 . . . . 0.0 109.279 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . 46.99 59.17 4.17 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.55 1.156 . . . . 0.0 109.276 179.966 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 99' ' ' ALA . . . . . 0.91 ' HB2' ' HB ' ' A' ' 96' ' ' VAL . . . -66.04 -70.39 0.24 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.519 1.137 . . . . 0.0 109.276 -179.982 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . -105.53 60.5 0.39 Allowed Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.431 1.082 . . . . 0.0 111.009 179.971 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 101' ' ' ARG . . . . . 0.412 ' CG ' ' O ' ' A' ' 61' ' ' ILE . 0.0 OUTLIER -72.26 -31.46 65.79 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.498 0.763 . . . . 0.0 110.301 179.995 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 11.6 pt-20 -61.38 -25.45 67.18 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.508 1.13 . . . . 0.0 110.279 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 103' ' ' LEU . . . . . 0.95 HD11 ' HG2' ' A' ' 40' ' ' LYS . 86.3 mt -54.18 -25.09 20.81 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.501 1.126 . . . . 0.0 109.348 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 104' ' ' PHE . . . . . 0.461 ' CE2' ' O ' ' A' ' 45' ' ' ILE . 86.4 m-85 -113.79 58.63 0.67 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.472 1.107 . . . . 0.0 111.025 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 105' ' ' MET . . . . . . . . . . . . . 1.3 mmt -108.47 83.75 1.82 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.482 1.114 . . . . 0.0 111.02 -179.962 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 4.0 m -154.94 -71.3 0.12 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.567 1.167 . . . . 0.0 110.417 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 1.4 t0 71.81 137.17 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.52 1.138 . . . . 0.0 109.287 -179.985 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -173.76 108.96 0.15 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.511 1.132 . . . . 0.0 110.307 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -90.22 164.66 14.32 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.502 1.126 . . . . 0.0 110.023 179.979 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 178.01 88.07 0.07 OUTLIER Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.484 1.115 . . . . 0.0 110.981 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 111' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 -63.94 0.03 OUTLIER 'Trans proline' 0 C--N 1.361 1.186 0 O-C-N 124.477 1.778 . . . . 0.0 111.029 179.954 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 1.5 m -83.41 100.14 10.51 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.519 1.137 . . . . 0.0 109.978 -179.982 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 2.3 m -92.72 106.35 18.34 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.497 1.123 . . . . 0.0 110.016 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.007 0 O-C-N 124.483 1.114 . . . . 0.0 110.984 -179.976 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.023 0 N-CA-C 111.021 -0.832 . . . . 0.0 111.021 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER 63.49 129.65 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.551 0.795 . . . . 0.0 109.971 -179.984 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -178.31 111.69 0.06 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.521 1.138 . . . . 0.0 109.945 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 170.68 98.33 0.11 Allowed Glycine 0 CA--C 1.531 1.048 0 O-C-N 124.492 1.12 . . . . 0.0 110.987 179.95 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 14.4 m -145.0 122.66 11.81 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.51 0.771 . . . . 0.0 110.021 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.4 t -104.92 29.02 6.62 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.489 1.118 . . . . 0.0 110.033 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 86.55 160.9 35.13 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.538 1.148 . . . . 0.0 111.012 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 3.2 m -118.77 105.94 44.75 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.427 0.722 . . . . 0.0 109.999 -179.954 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.91 160.64 40.15 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.505 1.792 . . . . 0.0 111.036 179.975 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 139.74 113.45 1.09 Allowed Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.523 1.139 . . . . 0.0 111.055 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 19.6 t-20 -178.38 138.06 0.17 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.474 0.749 . . . . 0.0 109.348 -179.975 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -132.2 151.89 51.58 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.473 1.108 . . . . 0.0 110.282 -179.991 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 12.0 pt-20 -109.48 128.01 54.85 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.489 1.118 . . . . 0.0 110.301 180.0 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 5.4 t-20 179.98 -59.9 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.497 1.123 . . . . 0.0 109.342 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -89.63 171.17 9.87 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.52 1.138 . . . . 0.0 109.298 -180.0 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 16' ' ' GLU . . . . . 0.418 ' HG3' HG22 ' A' ' 96' ' ' VAL . 20.9 mt-10 47.52 84.55 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.51 1.131 . . . . 0.0 110.292 -179.983 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 17' ' ' LYS . . . . . 0.548 ' CE ' HD11 ' A' ' 95' ' ' ILE . 0.1 OUTLIER -111.21 144.13 40.86 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.48 1.112 . . . . 0.0 109.347 179.969 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 18' ' ' LYS . . . . . 0.614 ' HD3' HG23 ' A' ' 92' ' ' THR . 0.2 OUTLIER -94.8 139.01 31.86 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.512 1.133 . . . . 0.0 109.311 -179.999 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 19' ' ' VAL . . . . . 0.455 HG23 ' HB ' ' A' ' 93' ' ' ILE . 3.5 m -140.64 124.22 17.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.556 1.16 . . . . 0.0 109.283 179.988 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 20' ' ' PHE . . . . . 0.598 ' CE2' ' OG1' ' A' ' 92' ' ' THR . 0.1 OUTLIER -96.99 122.16 39.67 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.491 1.119 . . . . 0.0 110.972 -179.977 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 21' ' ' ILE . . . . . 0.694 HG23 ' HB3' ' A' ' 53' ' ' LEU . 9.3 mm -108.15 118.58 56.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.472 1.108 . . . . 0.0 109.32 179.972 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 79.1 p -110.93 113.84 26.71 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.445 1.091 . . . . 0.0 109.98 -179.989 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.467 ' CD1' ' HA2' ' A' ' 28' ' ' GLY . 3.9 mm? -82.55 58.43 4.18 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.521 1.138 . . . . 0.0 109.273 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 2.3 m -125.87 167.29 20.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.531 1.144 . . . . 0.0 109.31 179.962 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 68.33 -165.49 46.51 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.525 1.14 . . . . 0.0 111.013 -179.983 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 3.0 p -81.15 68.56 7.49 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.499 0.764 . . . . 0.0 109.99 -179.968 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 1.2 mtt180 -178.2 119.18 0.09 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.512 1.133 . . . . 0.0 110.306 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 28' ' ' GLY . . . . . 0.467 ' HA2' ' CD1' ' A' ' 23' ' ' LEU . . . -121.84 58.34 0.59 Allowed Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.425 1.078 . . . . 0.0 111.027 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 29' ' ' LEU . . . . . 0.542 ' H ' HD23 ' A' ' 53' ' ' LEU . 3.6 tp 63.41 154.63 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.501 0.765 . . . . 0.0 109.288 -179.972 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -154.22 28.77 0.71 Allowed Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.544 1.152 . . . . 0.0 111.006 179.976 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 31' ' ' CYS . . . . . 0.435 ' HA ' ' O ' ' A' ' 47' ' ' HIS . 20.1 p -117.4 143.3 46.13 Favored 'General case' 0 C--N 1.325 -0.476 0 N-CA-C 108.289 -1.004 . . . . 0.0 108.289 179.983 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -99.4 137.65 37.6 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.485 1.116 . . . . 0.0 109.963 -179.971 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 33' ' ' ILE . . . . . 0.525 HD11 ' CG2' ' A' ' 82' ' ' VAL . 11.8 pt -112.34 144.67 19.62 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.504 1.127 . . . . 0.0 109.262 -179.971 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 14.7 m -127.27 141.05 51.82 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.533 1.146 . . . . 0.0 110.002 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 22.3 p -78.54 127.71 32.53 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.472 1.107 . . . . 0.0 109.993 -179.969 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -74.35 166.09 54.78 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.451 1.094 . . . . 0.0 111.012 180.0 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.06 -173.43 1.57 Allowed 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.464 1.77 . . . . 0.0 110.994 179.98 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 0.7 OUTLIER -71.41 -29.99 37.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.437 1.085 . . . . 0.0 109.282 -179.96 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 15.1 pt20 -78.2 -29.25 48.34 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.486 1.116 . . . . 0.0 110.316 179.979 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 40' ' ' LYS . . . . . 0.458 ' N ' ' HD3' ' A' ' 41' ' ' PRO . 7.1 tttt -137.84 62.54 34.67 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.522 1.139 . . . . 0.0 109.33 179.967 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 41' ' ' PRO . . . . . 0.458 ' HD3' ' N ' ' A' ' 40' ' ' LYS . 18.3 Cg_endo -75.04 144.7 30.42 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.483 1.781 . . . . 0.0 111.017 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 152.46 -153.59 24.98 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.513 1.133 . . . . 0.0 110.972 -179.967 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 43' ' ' ILE . . . . . 0.698 HG22 HD12 ' A' ' 65' ' ' ILE . 33.5 mm -126.61 126.56 69.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.502 0.766 . . . . 0.0 109.279 -179.972 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 44' ' ' PHE . . . . . 0.594 ' CD2' ' HB2' ' A' ' 64' ' ' GLN . 1.9 m-85 -133.92 151.61 51.56 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.468 1.105 . . . . 0.0 111.015 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 45' ' ' ILE . . . . . 0.463 ' O ' ' CE2' ' A' ' 104' ' ' PHE . 26.2 mt -83.51 142.12 13.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.515 1.134 . . . . 0.0 109.323 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 28.5 t -110.34 -36.26 5.84 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.566 1.167 . . . . 0.0 109.975 -179.98 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 47' ' ' HIS . . . . . 0.435 ' O ' ' HA ' ' A' ' 31' ' ' CYS . 58.4 t-80 -157.69 156.25 31.39 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.473 1.108 . . . . 0.0 109.593 -179.974 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -150.3 135.1 9.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.518 1.136 . . . . 0.0 109.343 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 2.1 mttt -71.43 147.38 92.66 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.492 1.12 . . . . 0.0 109.311 -179.975 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 56.78 4.36 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.532 1.807 . . . . 0.0 111.017 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 155.4 43.65 0.02 OUTLIER Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.498 1.124 . . . . 0.0 110.993 -179.981 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 52' ' ' SER . . . . . 0.513 ' H ' ' HB3' ' A' ' 55' ' ' ALA . 98.1 p -115.27 -177.0 3.03 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.512 0.772 . . . . 0.0 110.032 180.0 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 53' ' ' LEU . . . . . 0.694 ' HB3' HG23 ' A' ' 21' ' ' ILE . 0.5 OUTLIER -61.8 -15.67 43.5 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.52 1.137 . . . . 0.0 109.289 -179.966 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 54' ' ' SER . . . . . 0.517 ' O ' HG22 ' A' ' 57' ' ' VAL . 0.1 OUTLIER -92.35 -41.88 10.1 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.48 1.113 . . . . 0.0 110.006 179.995 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 55' ' ' ALA . . . . . 0.513 ' HB3' ' H ' ' A' ' 52' ' ' SER . . . -63.16 -44.45 95.46 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.46 1.1 . . . . 0.0 109.339 179.961 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 56' ' ' GLU . . . . . 0.566 ' HG3' HG13 ' A' ' 57' ' ' VAL . 8.6 pt-20 -52.36 -34.67 48.7 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.494 1.121 . . . . 0.0 110.347 179.958 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 57' ' ' VAL . . . . . 0.566 HG13 ' HG3' ' A' ' 56' ' ' GLU . 26.9 m -91.72 -19.73 6.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.498 1.124 . . . . 0.0 109.325 179.968 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 92.0 25.81 21.09 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.47 1.106 . . . . 0.0 111.002 -179.988 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 59' ' ' LEU . . . . . 0.456 ' HG ' HG23 ' A' ' 57' ' ' VAL . 13.9 mt -66.44 138.11 57.32 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.477 0.751 . . . . 0.0 109.331 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 24.5 mt-10 -127.74 168.86 14.51 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.524 1.14 . . . . 0.0 110.312 -179.975 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 61' ' ' ILE . . . . . 0.451 ' O ' ' CG ' ' A' ' 101' ' ' ARG . 22.9 mt -62.17 139.38 20.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.478 1.111 . . . . 0.0 109.313 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 106.59 -33.43 6.45 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.513 1.133 . . . . 0.0 111.057 -179.981 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 63' ' ' ASP . . . . . 0.549 ' CG ' HD13 ' A' ' 95' ' ' ILE . 65.9 m-20 -49.7 97.21 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.531 0.783 . . . . 0.0 109.271 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 64' ' ' GLN . . . . . 0.635 ' HB3' ' HB3' ' A' ' 99' ' ' ALA . 50.5 tt0 -83.2 127.25 33.46 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.521 1.138 . . . . 0.0 110.314 179.966 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 65' ' ' ILE . . . . . 0.746 HG23 HG23 ' A' ' 93' ' ' ILE . 17.5 mt -80.57 109.12 14.67 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.434 0 O-C-N 124.483 1.115 . . . . 0.0 109.317 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 66' ' ' VAL . . . . . 0.509 HG22 ' O ' ' A' ' 94' ' ' SER . 3.5 m -98.18 -25.92 3.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.529 1.143 . . . . 0.0 109.303 -179.983 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 67' ' ' GLU . . . . . 0.435 ' HA ' ' O ' ' A' ' 71' ' ' VAL . 27.2 tt0 -145.28 153.15 40.98 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.523 1.139 . . . . 0.0 110.288 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 68' ' ' VAL . . . . . 0.624 ' CG2' ' CG2' ' A' ' 65' ' ' ILE . 86.3 t -152.62 112.58 0.41 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.509 1.131 . . . . 0.0 109.334 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 69' ' ' ASN . . . . . 0.819 HD22 HD23 ' A' ' 91' ' ' LEU . 1.1 t-20 53.29 25.73 4.69 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.474 1.109 . . . . 0.0 109.319 -179.958 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 88.95 18.63 53.79 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.547 1.155 . . . . 0.0 111.025 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 71' ' ' VAL . . . . . 0.474 HG23 ' O ' ' A' ' 68' ' ' VAL . 70.1 t -100.26 131.6 47.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.516 0.774 . . . . 0.0 109.286 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 2.5 t0 -68.5 84.94 0.28 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.502 1.126 . . . . 0.0 109.284 -179.978 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 73' ' ' PHE . . . . . 0.759 ' CD1' HD12 ' A' ' 76' ' ' LEU . 2.4 m-85 -87.89 18.33 4.23 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.513 1.133 . . . . 0.0 110.962 -179.965 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -74.75 -55.3 6.0 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.518 1.137 . . . . 0.0 109.964 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 85.0 m-20 -112.56 49.04 0.95 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.505 1.128 . . . . 0.0 109.294 -179.953 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 76' ' ' LEU . . . . . 0.759 HD12 ' CD1' ' A' ' 73' ' ' PHE . 6.0 mt -90.26 -166.27 1.55 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.479 1.112 . . . . 0.0 109.297 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 25.0 t70 -131.98 169.26 16.56 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.54 1.15 . . . . 0.0 109.288 179.964 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 78' ' ' HIS . . . . . . . . . . . . . 60.6 t-80 -71.3 -6.38 39.46 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.525 1.141 . . . . 0.0 109.637 179.971 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 11.9 mmtt -109.76 -36.64 5.87 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.495 1.122 . . . . 0.0 109.299 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 80' ' ' GLU . . . . . 0.698 ' CB ' HD22 ' A' ' 76' ' ' LEU . 4.4 mm-40 -76.97 -37.11 55.82 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.506 1.129 . . . . 0.0 110.266 179.994 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 81' ' ' ALA . . . . . 0.422 ' CB ' HG13 ' A' ' 43' ' ' ILE . . . -71.26 -35.23 71.32 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.467 1.104 . . . . 0.0 109.35 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 82' ' ' VAL . . . . . 0.838 HG12 ' CE ' ' A' ' 86' ' ' LYS . 41.1 t -79.13 -36.64 18.55 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 O-C-N 124.509 1.131 . . . . 0.0 109.301 179.983 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 22.4 t-20 -63.03 -46.95 85.16 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.504 1.128 . . . . 0.0 109.294 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 84' ' ' VAL . . . . . 0.466 HG11 ' HE1' ' A' ' 73' ' ' PHE . 78.9 t -70.04 -33.26 54.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.477 1.111 . . . . 0.0 109.301 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 15.1 mt -73.12 -36.77 66.79 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.455 1.097 . . . . 0.0 109.297 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 86' ' ' LYS . . . . . 0.838 ' CE ' HG12 ' A' ' 82' ' ' VAL . 9.6 ptpt -90.29 -3.11 57.98 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.519 1.137 . . . . 0.0 109.323 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 46.7 t -59.13 -60.23 4.2 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.533 1.145 . . . . 0.0 109.995 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -120.19 -176.11 3.13 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.482 1.113 . . . . 0.0 109.989 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 17.0 mmt180 -91.9 -55.42 3.46 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.492 1.12 . . . . 0.0 110.308 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 1.4 m -90.63 121.03 32.19 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.519 1.137 . . . . 0.0 110.014 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 91' ' ' LEU . . . . . 0.819 HD23 HD22 ' A' ' 69' ' ' ASN . 1.1 mt -140.48 142.67 35.28 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.557 1.161 . . . . 0.0 109.279 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 92' ' ' THR . . . . . 0.614 HG23 ' HD3' ' A' ' 18' ' ' LYS . 16.3 m -98.14 101.02 12.38 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.527 1.142 . . . . 0.0 110.411 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 93' ' ' ILE . . . . . 0.746 HG23 HG23 ' A' ' 65' ' ' ILE . 21.0 mt -89.85 143.81 10.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.505 1.128 . . . . 0.0 109.269 -179.966 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 94' ' ' SER . . . . . 0.509 ' O ' HG22 ' A' ' 66' ' ' VAL . 0.3 OUTLIER -124.76 103.23 7.98 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.505 1.128 . . . . 0.0 110.006 179.996 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 95' ' ' ILE . . . . . 0.557 HD12 ' H ' ' A' ' 97' ' ' ALA . 1.1 pt -100.35 167.17 2.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.533 1.146 . . . . 0.0 109.332 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 96' ' ' VAL . . . . . 0.847 ' HB ' ' HB2' ' A' ' 99' ' ' ALA . 79.2 t -110.57 35.22 0.69 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.522 1.139 . . . . 0.0 109.331 179.988 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 97' ' ' ALA . . . . . 0.557 ' H ' HD12 ' A' ' 95' ' ' ILE . . . 46.51 95.0 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.551 1.157 . . . . 0.0 109.303 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 98' ' ' ALA . . . . . 0.704 ' HB1' ' HG3' ' A' ' 101' ' ' ARG . . . 44.19 59.49 3.2 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.475 1.109 . . . . 0.0 109.295 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 99' ' ' ALA . . . . . 0.847 ' HB2' ' HB ' ' A' ' 96' ' ' VAL . . . -62.05 -57.52 11.29 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.515 1.134 . . . . 0.0 109.286 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . -113.6 58.74 0.41 Allowed Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.52 1.137 . . . . 0.0 110.985 -179.976 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 101' ' ' ARG . . . . . 0.704 ' HG3' ' HB1' ' A' ' 98' ' ' ALA . 0.0 OUTLIER -71.02 -35.83 72.17 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.474 0.75 . . . . 0.0 110.292 -179.995 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 1.3 pt-20 -57.69 -29.58 64.79 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.522 1.139 . . . . 0.0 110.317 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 69.4 mt -53.17 -38.92 63.2 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.506 1.129 . . . . 0.0 109.295 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 104' ' ' PHE . . . . . 0.463 ' CE2' ' O ' ' A' ' 45' ' ' ILE . 65.1 m-85 -102.56 52.3 0.8 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.528 1.143 . . . . 0.0 110.975 -179.967 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 105' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -81.22 128.56 33.92 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.501 1.126 . . . . 0.0 111.032 179.96 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 41.1 m 61.48 126.02 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.492 1.12 . . . . 0.0 110.375 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -107.12 150.34 26.68 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.493 1.12 . . . . 0.0 109.304 179.956 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -127.81 -58.34 1.23 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.485 1.116 . . . . 0.0 110.295 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -60.17 108.09 0.74 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.468 1.105 . . . . 0.0 109.987 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . -122.99 156.54 17.4 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.554 1.159 . . . . 0.0 110.975 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 111' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 168.7 24.25 Favored 'Trans proline' 0 C--N 1.361 1.205 0 O-C-N 124.467 1.772 . . . . 0.0 110.985 -179.988 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 18.0 m 55.32 168.67 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.487 1.117 . . . . 0.0 110.023 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 87.9 p 47.02 83.53 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.486 1.116 . . . . 0.0 110.025 -179.967 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.99 0 O-C-N 124.537 1.148 . . . . 0.0 111.001 -179.989 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.993 0 N-CA-C 110.978 -0.849 . . . . 0.0 110.978 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -158.0 167.04 31.03 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.492 0.76 . . . . 0.0 110.007 179.971 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 13.9 m -118.66 169.93 9.4 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.442 1.089 . . . . 0.0 110.0 -179.981 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -139.97 163.82 26.21 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.521 1.138 . . . . 0.0 111.023 -179.98 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 8.3 m -150.44 137.66 19.47 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.515 0.773 . . . . 0.0 110.005 179.944 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 54.0 p -121.59 30.42 6.73 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.516 1.135 . . . . 0.0 109.994 179.999 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -123.33 147.22 16.64 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.482 1.114 . . . . 0.0 110.988 179.99 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 18.6 p -137.29 126.71 15.31 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.473 0.749 . . . . 0.0 109.998 179.957 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.01 -179.47 5.03 Favored 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.509 1.794 . . . . 0.0 111.003 179.982 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -136.39 -88.59 0.24 Allowed Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.541 1.151 . . . . 0.0 111.017 179.995 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER 64.3 144.19 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.536 0.786 . . . . 0.0 109.31 179.999 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -130.7 -53.1 1.07 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.544 1.152 . . . . 0.0 110.299 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 2.9 mt-10 69.07 137.17 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.436 1.085 . . . . 0.0 110.338 -179.988 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 4.3 t30 -176.31 -68.82 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.477 1.111 . . . . 0.0 109.277 -179.982 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -108.55 171.07 7.63 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.446 1.091 . . . . 0.0 109.315 -179.998 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 21.8 mt-10 52.5 87.95 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.537 1.148 . . . . 0.0 110.336 -179.99 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 17' ' ' LYS . . . . . 0.776 ' HE2' HD11 ' A' ' 95' ' ' ILE . 0.0 OUTLIER -113.71 143.14 45.11 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.511 1.132 . . . . 0.0 109.316 179.992 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -95.42 128.89 42.64 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.468 1.105 . . . . 0.0 109.312 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 19' ' ' VAL . . . . . 0.455 HG23 ' HB ' ' A' ' 93' ' ' ILE . 2.5 m -129.08 130.34 68.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.461 1.101 . . . . 0.0 109.299 179.978 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 20' ' ' PHE . . . . . 0.566 ' CD2' ' OG1' ' A' ' 92' ' ' THR . 0.4 OUTLIER -107.25 115.08 29.55 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.517 1.136 . . . . 0.0 110.995 179.991 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 21' ' ' ILE . . . . . 0.474 HG22 ' CD2' ' A' ' 23' ' ' LEU . 14.6 mm -103.39 112.6 37.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.482 1.114 . . . . 0.0 109.275 179.974 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 22' ' ' SER . . . . . 0.46 ' C ' HD22 ' A' ' 23' ' ' LEU . 33.5 t -105.08 137.46 42.81 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.516 1.135 . . . . 0.0 109.991 179.973 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.474 ' CD2' HG22 ' A' ' 21' ' ' ILE . 3.4 mm? -122.23 60.81 0.98 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.486 1.116 . . . . 0.0 109.344 179.962 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 24' ' ' VAL . . . . . 0.409 HG13 ' OG ' ' A' ' 22' ' ' SER . 8.3 m -104.39 -31.58 2.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.488 1.118 . . . . 0.0 109.312 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -126.43 -148.76 7.16 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.499 1.124 . . . . 0.0 110.975 -179.968 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -48.72 177.14 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.447 0.734 . . . . 0.0 110.003 -179.979 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 27' ' ' ARG . . . . . 0.87 ' CB ' HD13 ' A' ' 53' ' ' LEU . 15.8 mmt-85 65.07 123.85 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.512 1.133 . . . . 0.0 110.288 -179.968 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 28' ' ' GLY . . . . . 0.456 ' HA2' HD12 ' A' ' 23' ' ' LEU . . . -132.44 41.09 1.53 Allowed Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.467 1.104 . . . . 0.0 111.006 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER 64.57 108.72 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.529 0.782 . . . . 0.0 109.335 -179.978 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -108.92 27.71 12.52 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.533 1.146 . . . . 0.0 111.015 -179.95 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 28.5 p -120.63 146.67 46.15 Favored 'General case' 0 C--N 1.326 -0.441 0 N-CA-C 108.314 -0.995 . . . . 0.0 108.314 -179.963 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -105.11 140.38 38.37 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.513 1.133 . . . . 0.0 109.961 -179.95 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 33' ' ' ILE . . . . . 0.405 HD11 ' CG2' ' A' ' 82' ' ' VAL . 6.6 pt -106.09 148.88 10.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.444 1.09 . . . . 0.0 109.289 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 1.1 p -123.34 168.7 12.16 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.432 1.082 . . . . 0.0 110.04 -179.99 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 11.9 p -109.02 124.5 50.83 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.542 1.151 . . . . 0.0 109.971 179.999 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -74.23 163.24 54.48 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.502 1.126 . . . . 0.0 111.023 179.963 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 -170.98 0.86 Allowed 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.498 1.788 . . . . 0.0 111.013 179.979 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 5.5 tt -72.84 -30.14 31.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.506 1.128 . . . . 0.0 109.296 179.985 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 7.2 pt20 -77.6 -29.99 52.19 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.486 1.116 . . . . 0.0 110.318 -179.997 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 40' ' ' LYS . . . . . 0.56 ' HD3' HD11 ' A' ' 103' ' ' LEU . 27.9 tttp -138.8 62.75 29.25 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.457 1.098 . . . . 0.0 109.262 -179.973 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 41' ' ' PRO . . . . . 0.456 ' HD3' ' N ' ' A' ' 40' ' ' LYS . 18.2 Cg_endo -75.05 145.63 31.5 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.476 1.777 . . . . 0.0 110.961 -179.988 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 155.85 -151.76 23.25 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.494 1.121 . . . . 0.0 111.042 179.985 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 43' ' ' ILE . . . . . 0.575 HG22 ' CD1' ' A' ' 65' ' ' ILE . 13.2 mm -134.32 116.12 21.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.527 0.78 . . . . 0.0 109.306 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 44' ' ' PHE . . . . . 0.591 ' CD2' ' HB2' ' A' ' 64' ' ' GLN . 1.4 m-85 -124.61 150.52 45.9 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.503 1.127 . . . . 0.0 111.026 179.984 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 45' ' ' ILE . . . . . 0.489 HG21 ' CG2' ' A' ' 48' ' ' VAL . 13.7 mt -75.63 136.6 24.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.482 1.114 . . . . 0.0 109.303 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 3.1 p -100.03 -40.41 7.64 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.425 1.078 . . . . 0.0 109.999 179.982 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 57.3 t-80 -146.48 161.96 39.31 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.547 1.154 . . . . 0.0 109.608 179.989 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 48' ' ' VAL . . . . . 0.489 ' CG2' HG21 ' A' ' 45' ' ' ILE . 75.0 t -145.08 116.68 2.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.578 1.174 . . . . 0.0 109.321 -179.981 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 12.9 mtpt -67.45 156.64 88.07 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.498 1.124 . . . . 0.0 109.299 179.988 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 122.88 7.47 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.448 1.762 . . . . 0.0 110.978 179.999 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 71.85 22.91 78.63 Favored Glycine 0 CA--C 1.531 1.056 0 O-C-N 124.47 1.106 . . . . 0.0 110.965 179.98 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 42.6 p -70.65 -173.2 0.72 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.53 0.782 . . . . 0.0 110.01 179.978 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 53' ' ' LEU . . . . . 0.87 HD13 ' CB ' ' A' ' 27' ' ' ARG . 11.9 tp -78.9 -16.01 57.59 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.468 1.105 . . . . 0.0 109.33 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 54' ' ' SER . . . . . 0.809 ' O ' HG22 ' A' ' 57' ' ' VAL . 0.0 OUTLIER -94.99 -39.51 10.14 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.489 1.118 . . . . 0.0 110.003 179.968 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -66.57 -40.52 89.03 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.456 1.097 . . . . 0.0 109.301 -179.998 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 56' ' ' GLU . . . . . 0.698 ' CD ' HD12 ' A' ' 53' ' ' LEU . 6.8 pt-20 -54.39 -37.33 64.9 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.517 1.135 . . . . 0.0 110.286 -179.992 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 57' ' ' VAL . . . . . 0.809 HG22 ' O ' ' A' ' 54' ' ' SER . 13.5 m -82.5 -26.7 8.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.498 1.124 . . . . 0.0 109.305 179.996 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 108.26 37.82 2.06 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.46 1.1 . . . . 0.0 111.028 -179.963 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 59' ' ' LEU . . . . . 0.512 ' HG ' HG23 ' A' ' 57' ' ' VAL . 35.4 mt -93.34 142.07 27.73 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.486 0.757 . . . . 0.0 109.277 -179.988 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 29.5 mt-10 -144.11 173.24 11.91 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.506 1.129 . . . . 0.0 110.304 179.971 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 69.2 mt -59.69 131.86 24.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.533 1.146 . . . . 0.0 109.337 179.971 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 62' ' ' GLY . . . . . 0.45 ' O ' ' N ' ' A' ' 64' ' ' GLN . . . 114.98 -41.73 2.1 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.491 1.119 . . . . 0.0 110.975 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 63' ' ' ASP . . . . . 0.629 ' CG ' HD13 ' A' ' 95' ' ' ILE . 84.4 m-20 -44.77 96.35 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.472 0.748 . . . . 0.0 109.338 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 64' ' ' GLN . . . . . 0.591 ' HB2' ' CD2' ' A' ' 44' ' ' PHE . 48.3 tt0 -82.89 122.61 28.47 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.54 1.15 . . . . 0.0 110.314 -179.982 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 65' ' ' ILE . . . . . 0.588 ' CG2' ' CG2' ' A' ' 68' ' ' VAL . 2.5 mp -73.43 110.5 6.99 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.464 1.102 . . . . 0.0 109.262 -179.946 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 66' ' ' VAL . . . . . 0.767 HG22 ' O ' ' A' ' 94' ' ' SER . 20.9 m -99.96 -22.36 4.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.476 1.11 . . . . 0.0 109.308 179.978 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 67' ' ' GLU . . . . . 0.457 ' HA ' ' O ' ' A' ' 71' ' ' VAL . 32.9 tt0 -152.88 153.9 33.99 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.51 1.131 . . . . 0.0 110.291 179.975 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 68' ' ' VAL . . . . . 0.597 ' HB ' ' CE1' ' A' ' 73' ' ' PHE . 85.6 t -152.79 114.7 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.498 1.124 . . . . 0.0 109.327 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 69' ' ' ASN . . . . . 0.818 ' ND2' HD23 ' A' ' 91' ' ' LEU . 1.1 t-20 56.22 19.68 4.04 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.547 1.155 . . . . 0.0 109.332 -179.948 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 94.56 10.98 57.53 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.445 1.09 . . . . 0.0 110.986 179.986 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 71' ' ' VAL . . . . . 0.593 HG11 HG11 ' A' ' 84' ' ' VAL . 63.8 t -90.54 138.97 18.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.478 0.752 . . . . 0.0 109.285 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 1.1 t70 -75.24 91.15 2.62 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.463 1.102 . . . . 0.0 109.265 -179.997 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 73' ' ' PHE . . . . . 0.778 ' CD1' HD12 ' A' ' 76' ' ' LEU . 3.0 m-85 -92.17 12.94 20.51 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.472 1.108 . . . . 0.0 111.003 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -60.72 -58.12 9.81 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.541 1.151 . . . . 0.0 110.019 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -118.97 59.48 0.83 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.467 1.105 . . . . 0.0 109.275 -179.998 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 76' ' ' LEU . . . . . 0.778 HD12 ' CD1' ' A' ' 73' ' ' PHE . 6.7 mt -94.91 -167.37 1.62 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.506 1.129 . . . . 0.0 109.31 179.971 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 45.1 t0 -132.0 170.84 14.36 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.466 1.103 . . . . 0.0 109.345 179.954 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 78' ' ' HIS . . . . . . . . . . . . . 63.4 t-80 -71.65 -7.23 46.61 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.519 1.137 . . . . 0.0 109.666 179.977 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -107.47 -38.05 6.03 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.478 1.111 . . . . 0.0 109.322 179.996 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 80' ' ' GLU . . . . . 0.698 ' CB ' HD22 ' A' ' 76' ' ' LEU . 2.6 mm-40 -77.04 -37.38 54.93 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.51 1.131 . . . . 0.0 110.295 -179.98 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -72.48 -34.61 67.81 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.567 1.167 . . . . 0.0 109.329 179.97 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 82' ' ' VAL . . . . . 0.788 HG12 ' CE ' ' A' ' 86' ' ' LYS . 39.5 t -77.42 -42.56 30.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.459 1.1 . . . . 0.0 109.264 -179.985 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 40.5 t30 -60.28 -45.8 92.06 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.496 1.123 . . . . 0.0 109.296 179.984 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 84' ' ' VAL . . . . . 0.593 HG11 HG11 ' A' ' 71' ' ' VAL . 76.7 t -70.54 -30.93 44.65 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.535 1.147 . . . . 0.0 109.288 179.997 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 19.0 mt -75.46 -33.06 60.83 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.486 1.116 . . . . 0.0 109.293 -179.968 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 86' ' ' LYS . . . . . 0.788 ' CE ' HG12 ' A' ' 82' ' ' VAL . 0.3 OUTLIER -91.52 -1.72 57.42 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.507 1.129 . . . . 0.0 109.319 179.976 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 1.7 t -54.66 -68.25 0.2 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.505 1.128 . . . . 0.0 110.005 -179.983 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 88' ' ' SER . . . . . 0.774 ' O ' HD11 ' A' ' 91' ' ' LEU . 0.3 OUTLIER -122.48 179.52 4.56 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.452 1.095 . . . . 0.0 110.016 179.987 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 4.2 mmt180 -85.7 -57.24 3.13 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.504 1.128 . . . . 0.0 110.294 -179.995 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -80.88 107.59 13.82 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.463 1.102 . . . . 0.0 109.98 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 91' ' ' LEU . . . . . 0.818 HD23 ' ND2' ' A' ' 69' ' ' ASN . 1.1 mt -131.95 142.56 49.66 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.549 1.156 . . . . 0.0 109.312 -179.986 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 92' ' ' THR . . . . . 0.566 ' OG1' ' CD2' ' A' ' 20' ' ' PHE . 1.1 m -102.37 101.74 12.01 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.424 1.077 . . . . 0.0 110.419 179.978 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 93' ' ' ILE . . . . . 0.5 HG23 HG23 ' A' ' 65' ' ' ILE . 19.4 mt -89.24 138.55 19.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.485 1.116 . . . . 0.0 109.301 -179.978 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 94' ' ' SER . . . . . 0.767 ' O ' HG22 ' A' ' 66' ' ' VAL . 0.3 OUTLIER -121.36 104.41 9.68 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.536 1.148 . . . . 0.0 110.03 179.984 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 95' ' ' ILE . . . . . 0.776 HD11 ' HE2' ' A' ' 17' ' ' LYS . 1.1 pt -100.75 172.14 1.29 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.519 1.137 . . . . 0.0 109.306 -179.98 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 96' ' ' VAL . . . . . 0.902 ' HB ' ' HB2' ' A' ' 99' ' ' ALA . 75.7 t -112.36 32.92 1.11 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.437 1.086 . . . . 0.0 109.288 179.97 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 97' ' ' ALA . . . . . 0.633 ' H ' HD12 ' A' ' 95' ' ' ILE . . . 45.72 95.4 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.486 1.117 . . . . 0.0 109.287 179.936 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 98' ' ' ALA . . . . . 0.602 ' HB1' ' HG3' ' A' ' 101' ' ' ARG . . . 44.98 59.94 3.21 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.504 1.127 . . . . 0.0 109.25 179.996 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 99' ' ' ALA . . . . . 0.902 ' HB2' ' HB ' ' A' ' 96' ' ' VAL . . . -65.4 -68.38 0.37 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.509 1.131 . . . . 0.0 109.286 179.962 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . -101.57 57.01 0.68 Allowed Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.489 1.118 . . . . 0.0 110.998 -179.99 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 101' ' ' ARG . . . . . 0.602 ' HG3' ' HB1' ' A' ' 98' ' ' ALA . 0.0 OUTLIER -71.52 -20.15 62.08 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.492 0.76 . . . . 0.0 110.329 179.949 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -76.02 -14.54 60.22 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.509 1.131 . . . . 0.0 110.307 179.968 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 103' ' ' LEU . . . . . 0.56 HD11 ' HD3' ' A' ' 40' ' ' LYS . 26.2 mt -68.37 -16.64 64.0 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.475 1.109 . . . . 0.0 109.292 179.98 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 104' ' ' PHE . . . . . . . . . . . . . 58.4 m-85 -124.21 -49.19 1.82 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.481 1.113 . . . . 0.0 110.946 -179.956 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 105' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER 44.88 87.67 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.525 1.141 . . . . 0.0 110.968 179.97 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 28.4 m 60.41 147.12 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.461 1.101 . . . . 0.0 110.409 179.986 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 37.4 t0 -147.19 142.25 27.07 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.435 1.084 . . . . 0.0 109.33 -179.99 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -165.46 137.19 4.05 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.457 1.098 . . . . 0.0 110.286 -179.956 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 109' ' ' SER . . . . . 0.442 ' HA ' ' CA ' ' A' ' 114' ' ' GLY . 0.2 OUTLIER 61.72 127.98 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.523 1.139 . . . . 0.0 109.958 179.957 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 171.68 -67.73 0.13 Allowed Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.538 1.149 . . . . 0.0 110.973 179.988 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 111' ' ' PRO . . . . . 0.4 ' O ' ' O ' ' A' ' 112' ' ' SER . 18.1 Cg_endo -75.02 55.06 3.84 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.458 1.768 . . . . 0.0 110.966 -179.977 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 112' ' ' SER . . . . . 0.406 ' O ' ' O ' ' A' ' 113' ' ' SER . 1.2 m 61.15 126.57 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.499 1.125 . . . . 0.0 109.966 179.942 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 113' ' ' SER . . . . . 0.406 ' O ' ' O ' ' A' ' 112' ' ' SER . 31.8 t 45.26 94.52 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.529 1.143 . . . . 0.0 110.001 179.968 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 114' ' ' GLY . . . . . 0.442 ' CA ' ' HA ' ' A' ' 109' ' ' SER . . . . . . . . 0 CA--C 1.53 1.026 0 O-C-N 124.467 1.104 . . . . 0.0 111.012 180.0 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.041 0 N-CA-C 110.962 -0.855 . . . . 0.0 110.962 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -66.83 139.69 57.78 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.502 0.766 . . . . 0.0 110.0 179.984 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.6 t -146.09 92.65 2.22 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.512 1.132 . . . . 0.0 110.028 -179.96 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -52.18 119.91 10.05 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.551 1.157 . . . . 0.0 111.019 -179.955 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -164.45 120.82 1.56 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.49 0.759 . . . . 0.0 109.963 -179.975 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -121.37 28.41 7.78 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.503 1.127 . . . . 0.0 109.998 179.977 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -126.21 151.32 17.89 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.449 1.093 . . . . 0.0 110.989 179.991 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -136.62 155.16 76.95 Favored Pre-proline 0 C--N 1.325 -0.457 0 O-C-N 124.503 0.767 . . . . 0.0 109.991 179.972 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 -66.37 0.02 OUTLIER 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.482 1.78 . . . . 0.0 110.985 -179.969 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 117.83 63.06 0.31 Allowed Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.442 1.089 . . . . 0.0 111.016 179.989 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 11' ' ' ASN . . . . . 0.444 ' N ' ' OD1' ' A' ' 11' ' ' ASN . 6.2 p-10 -176.79 101.42 0.06 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.532 0.783 . . . . 0.0 109.309 -179.977 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 18.7 mmt180 -117.15 134.69 54.47 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.488 1.117 . . . . 0.0 110.277 -179.968 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 1.3 mt-10 -128.78 107.82 9.97 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.453 1.096 . . . . 0.0 110.313 179.982 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 14' ' ' ASN . . . . . 0.438 ' O ' ' HB3' ' A' ' 97' ' ' ALA . 1.1 t30 175.67 -67.31 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.496 1.122 . . . . 0.0 109.358 -179.952 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -123.89 117.68 25.39 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.517 1.136 . . . . 0.0 109.343 179.947 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 16' ' ' GLU . . . . . 0.406 ' HA ' ' O ' ' A' ' 95' ' ' ILE . 11.3 mt-10 67.19 110.18 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.507 1.129 . . . . 0.0 110.312 -179.98 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 17' ' ' LYS . . . . . 0.493 ' CE ' HD11 ' A' ' 95' ' ' ILE . 0.1 OUTLIER -130.0 147.46 51.76 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.46 1.1 . . . . 0.0 109.368 179.999 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 18' ' ' LYS . . . . . 0.458 ' HD3' ' CG2' ' A' ' 92' ' ' THR . 0.0 OUTLIER -98.83 118.65 36.06 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.481 1.113 . . . . 0.0 109.266 -179.923 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 0.7 OUTLIER -126.16 123.46 63.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.491 1.12 . . . . 0.0 109.285 -179.969 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 20' ' ' PHE . . . . . 0.585 ' CE2' ' OG1' ' A' ' 92' ' ' THR . 0.1 OUTLIER -106.81 113.64 27.26 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.489 1.118 . . . . 0.0 111.001 179.982 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 21' ' ' ILE . . . . . 0.493 ' CG1' HD12 ' A' ' 93' ' ' ILE . 24.8 mm -95.95 127.11 48.3 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.461 1.101 . . . . 0.0 109.345 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 22' ' ' SER . . . . . 0.596 ' O ' HD11 ' A' ' 53' ' ' LEU . 0.3 OUTLIER -121.03 123.53 42.6 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.526 1.141 . . . . 0.0 110.009 -179.99 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.512 HD11 ' H ' ' A' ' 29' ' ' LEU . 4.2 mm? -93.92 50.22 1.41 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.476 1.11 . . . . 0.0 109.311 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 2.2 m -109.81 151.87 11.97 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.52 1.138 . . . . 0.0 109.292 -179.938 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 68.8 -170.6 39.86 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.506 1.129 . . . . 0.0 111.03 179.987 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -77.09 78.85 3.63 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.497 0.763 . . . . 0.0 109.97 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 6.8 mtt-85 -163.72 130.0 3.17 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.45 1.094 . . . . 0.0 110.326 179.954 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -131.17 134.85 7.91 Favored Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.556 1.16 . . . . 0.0 111.021 -179.996 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 29' ' ' LEU . . . . . 0.66 HD11 ' SG ' ' A' ' 31' ' ' CYS . 1.1 tp -40.16 148.35 0.08 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.457 0.739 . . . . 0.0 109.306 179.984 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -141.22 37.86 1.59 Allowed Glycine 0 CA--C 1.529 0.959 0 O-C-N 124.456 1.098 . . . . 0.0 111.01 179.976 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 31' ' ' CYS . . . . . 0.66 ' SG ' HD11 ' A' ' 29' ' ' LEU . 9.1 p -125.91 142.19 51.63 Favored 'General case' 0 C--N 1.325 -0.473 0 N-CA-C 108.313 -0.995 . . . . 0.0 108.313 179.972 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -101.04 138.85 37.54 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.497 1.123 . . . . 0.0 109.959 -179.963 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 9.6 pt -115.12 145.08 21.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.532 1.145 . . . . 0.0 109.293 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 1.3 t -130.59 169.14 16.0 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.523 1.14 . . . . 0.0 110.015 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 36.2 p -105.17 131.62 52.42 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.444 1.09 . . . . 0.0 110.029 179.973 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -76.57 170.47 54.96 Favored Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.467 1.104 . . . . 0.0 111.026 179.974 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 -174.15 1.84 Allowed 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.48 1.779 . . . . 0.0 111.004 -179.969 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 0.7 OUTLIER -71.0 -29.81 38.66 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.484 1.115 . . . . 0.0 109.302 -179.969 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 6.7 pt20 -77.27 -30.36 54.29 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.486 1.116 . . . . 0.0 110.304 -179.99 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 40' ' ' LYS . . . . . 0.559 ' HD3' HD11 ' A' ' 103' ' ' LEU . 24.3 tttp -139.0 62.43 26.29 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.504 1.127 . . . . 0.0 109.331 179.993 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 41' ' ' PRO . . . . . 0.454 ' HD3' ' N ' ' A' ' 40' ' ' LYS . 18.6 Cg_endo -74.92 145.31 31.6 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.502 1.791 . . . . 0.0 111.025 179.969 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 154.6 -154.81 25.78 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.502 1.126 . . . . 0.0 110.963 179.962 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 43' ' ' ILE . . . . . 0.586 HG22 HD12 ' A' ' 65' ' ' ILE . 6.7 mm -127.12 118.15 49.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.487 0.757 . . . . 0.0 109.333 -179.966 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 44' ' ' PHE . . . . . 0.567 ' CD2' ' HB2' ' A' ' 64' ' ' GLN . 2.7 m-85 -128.76 137.55 51.61 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.518 1.136 . . . . 0.0 111.03 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 45' ' ' ILE . . . . . 0.594 ' O ' ' CZ ' ' A' ' 104' ' ' PHE . 21.6 mt -63.92 140.28 19.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.581 1.176 . . . . 0.0 109.275 -179.955 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 46' ' ' SER . . . . . 0.503 ' HA ' ' CE1' ' A' ' 104' ' ' PHE . 0.0 OUTLIER -107.1 -34.32 7.19 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.494 1.121 . . . . 0.0 109.958 179.99 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 47' ' ' HIS . . . . . 0.425 ' O ' ' HA ' ' A' ' 31' ' ' CYS . 24.6 t-80 -161.06 147.29 14.69 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.483 1.114 . . . . 0.0 109.574 179.997 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 48' ' ' VAL . . . . . 0.475 HG21 ' HB2' ' A' ' 54' ' ' SER . 1.3 p -150.23 127.4 2.36 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.527 0 O-C-N 124.515 1.135 . . . . 0.0 109.311 179.991 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 49' ' ' LYS . . . . . 0.664 ' O ' ' HB2' ' A' ' 55' ' ' ALA . 0.4 OUTLIER -67.58 154.94 92.34 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.509 1.131 . . . . 0.0 109.282 -179.991 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 -21.87 15.47 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.507 1.793 . . . . 0.0 111.002 -179.985 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -118.68 44.59 1.38 Allowed Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.504 1.128 . . . . 0.0 110.981 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 90.1 p -106.79 -172.06 2.01 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.475 0.75 . . . . 0.0 109.967 -179.963 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 53' ' ' LEU . . . . . 0.596 HD11 ' O ' ' A' ' 22' ' ' SER . 0.5 OUTLIER -81.69 -10.17 59.46 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.506 1.128 . . . . 0.0 109.321 179.97 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 54' ' ' SER . . . . . 0.995 ' O ' HG22 ' A' ' 57' ' ' VAL . 0.7 OUTLIER -95.61 -47.47 6.21 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.517 1.136 . . . . 0.0 109.999 179.986 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 55' ' ' ALA . . . . . 0.664 ' HB2' ' O ' ' A' ' 49' ' ' LYS . . . -56.05 -37.14 68.86 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.452 1.095 . . . . 0.0 109.323 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 56' ' ' GLU . . . . . 0.609 ' HG3' HG13 ' A' ' 57' ' ' VAL . 2.7 pt-20 -57.4 -31.82 66.21 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.507 1.13 . . . . 0.0 110.297 179.962 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 57' ' ' VAL . . . . . 0.995 HG22 ' O ' ' A' ' 54' ' ' SER . 3.6 m -89.12 -22.43 6.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.457 1.098 . . . . 0.0 109.297 -179.968 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 102.45 32.51 4.83 Favored Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.519 1.137 . . . . 0.0 110.973 179.961 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 59' ' ' LEU . . . . . 0.569 HD12 ' HB3' ' A' ' 54' ' ' SER . 12.5 mt -80.0 141.99 35.42 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.52 0.777 . . . . 0.0 109.326 179.935 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 17.0 mt-10 -142.91 172.97 11.98 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.484 1.115 . . . . 0.0 110.289 -179.966 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 25.1 mt -67.93 129.46 32.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.513 1.133 . . . . 0.0 109.263 179.976 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 116.81 -21.33 11.34 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.51 1.131 . . . . 0.0 111.035 179.98 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 63' ' ' ASP . . . . . 0.639 ' CG ' HD13 ' A' ' 95' ' ' ILE . 74.1 m-20 -65.98 98.33 0.42 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.507 0.769 . . . . 0.0 109.333 179.967 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 64' ' ' GLN . . . . . 0.567 ' HB2' ' CD2' ' A' ' 44' ' ' PHE . 49.3 tt0 -83.08 120.66 26.04 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.554 1.159 . . . . 0.0 110.261 -179.951 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 65' ' ' ILE . . . . . 0.611 ' CG2' ' CG2' ' A' ' 68' ' ' VAL . 28.5 mt -71.72 106.2 2.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.474 1.109 . . . . 0.0 109.319 179.984 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 66' ' ' VAL . . . . . 0.901 HG22 ' O ' ' A' ' 94' ' ' SER . 15.0 m -95.36 -23.37 5.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.472 1.108 . . . . 0.0 109.29 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 67' ' ' GLU . . . . . 0.418 ' HG2' ' N ' ' A' ' 68' ' ' VAL . 33.3 tt0 -153.16 152.81 31.67 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.512 1.132 . . . . 0.0 110.289 179.991 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 68' ' ' VAL . . . . . 0.718 ' O ' HG23 ' A' ' 71' ' ' VAL . 87.6 t -148.67 114.39 0.8 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.529 1.143 . . . . 0.0 109.269 -179.973 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 69' ' ' ASN . . . . . 0.856 ' ND2' HD23 ' A' ' 91' ' ' LEU . 1.5 t-20 57.8 18.05 4.61 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.533 1.146 . . . . 0.0 109.287 179.992 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 99.73 2.67 56.28 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.561 1.163 . . . . 0.0 111.006 179.98 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 71' ' ' VAL . . . . . 0.804 HG21 HG11 ' A' ' 84' ' ' VAL . 48.1 t -77.35 150.02 5.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.501 0.765 . . . . 0.0 109.285 -179.959 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -87.96 88.43 7.65 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.53 1.144 . . . . 0.0 109.317 -179.968 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 73' ' ' PHE . . . . . 0.897 ' CD1' HD12 ' A' ' 76' ' ' LEU . 3.2 m-85 -87.99 38.74 0.86 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.525 1.141 . . . . 0.0 111.013 -179.988 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 12.1 t -75.13 -61.67 1.81 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.452 1.095 . . . . 0.0 110.036 179.985 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 1.2 p30 -121.52 48.54 1.66 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.519 1.137 . . . . 0.0 109.274 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 76' ' ' LEU . . . . . 0.897 HD12 ' CD1' ' A' ' 73' ' ' PHE . 6.5 mt -76.6 -167.04 0.74 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.488 1.118 . . . . 0.0 109.28 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 39.1 t70 -136.73 171.12 14.97 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.524 1.14 . . . . 0.0 109.276 -179.982 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 78' ' ' HIS . . . . . . . . . . . . . 63.3 t-80 -71.91 -7.17 46.97 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.497 1.123 . . . . 0.0 109.566 -179.975 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 18.8 mttt -107.29 -34.93 6.95 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.551 1.157 . . . . 0.0 109.288 179.998 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 80' ' ' GLU . . . . . 0.711 ' CB ' HD22 ' A' ' 76' ' ' LEU . 2.3 mm-40 -80.41 -37.64 31.76 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.501 1.126 . . . . 0.0 110.321 179.99 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 81' ' ' ALA . . . . . 0.601 ' O ' HD12 ' A' ' 85' ' ' LEU . . . -72.99 -28.7 62.53 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.463 1.102 . . . . 0.0 109.321 179.983 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 82' ' ' VAL . . . . . 0.594 HG12 ' HE2' ' A' ' 86' ' ' LYS . 36.1 t -81.46 -40.27 17.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.503 1.127 . . . . 0.0 109.299 -179.975 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 83' ' ' ASN . . . . . 0.431 ' HA ' ' CE ' ' A' ' 86' ' ' LYS . 22.1 t-20 -61.69 -42.89 99.55 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.458 1.099 . . . . 0.0 109.325 179.935 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 84' ' ' VAL . . . . . 0.804 HG11 HG21 ' A' ' 71' ' ' VAL . 66.1 t -71.55 -32.31 45.49 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.499 1.125 . . . . 0.0 109.306 -179.983 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 85' ' ' LEU . . . . . 0.601 HD12 ' O ' ' A' ' 81' ' ' ALA . 24.9 mt -75.14 -34.14 61.61 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.487 1.117 . . . . 0.0 109.279 -179.991 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 86' ' ' LYS . . . . . 0.594 ' HE2' HG12 ' A' ' 82' ' ' VAL . 1.4 ptpt -89.41 -4.19 58.11 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.478 1.112 . . . . 0.0 109.288 -179.959 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 1.5 t -52.75 -66.47 0.38 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.52 1.137 . . . . 0.0 109.973 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 1.1 t -123.54 179.96 4.57 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.502 1.126 . . . . 0.0 109.996 -179.969 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 4.6 mmt180 -81.63 -56.18 4.18 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.52 1.138 . . . . 0.0 110.298 179.965 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 3.6 m -86.02 121.28 28.41 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.52 1.138 . . . . 0.0 109.977 -179.958 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 91' ' ' LEU . . . . . 0.856 HD23 ' ND2' ' A' ' 69' ' ' ASN . 1.2 mt -138.52 146.15 41.6 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.535 1.147 . . . . 0.0 109.321 179.962 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 92' ' ' THR . . . . . 0.585 ' OG1' ' CE2' ' A' ' 20' ' ' PHE . 76.2 m -104.32 101.92 11.62 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.526 1.141 . . . . 0.0 110.398 -179.986 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 93' ' ' ILE . . . . . 0.51 HG23 HG23 ' A' ' 65' ' ' ILE . 13.3 mt -89.95 133.6 31.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.503 1.127 . . . . 0.0 109.277 -179.973 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 94' ' ' SER . . . . . 0.901 ' O ' HG22 ' A' ' 66' ' ' VAL . 0.3 OUTLIER -117.95 104.29 10.76 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.491 1.12 . . . . 0.0 109.98 -179.98 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 95' ' ' ILE . . . . . 0.639 HD13 ' CG ' ' A' ' 63' ' ' ASP . 1.4 pt -104.22 173.86 1.3 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.54 1.15 . . . . 0.0 109.319 179.992 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 96' ' ' VAL . . . . . 0.92 ' HB ' ' HB2' ' A' ' 99' ' ' ALA . 74.3 t -112.45 33.97 0.97 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.48 1.112 . . . . 0.0 109.275 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 97' ' ' ALA . . . . . 0.438 ' HB3' ' O ' ' A' ' 14' ' ' ASN . . . 43.41 93.25 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.473 1.108 . . . . 0.0 109.27 179.987 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 98' ' ' ALA . . . . . 0.546 ' CB ' ' NH1' ' A' ' 101' ' ' ARG . . . 51.12 56.65 7.65 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.486 1.116 . . . . 0.0 109.324 -179.979 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 99' ' ' ALA . . . . . 0.92 ' HB2' ' HB ' ' A' ' 96' ' ' VAL . . . -61.63 -67.45 0.41 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.517 1.135 . . . . 0.0 109.3 -179.959 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . -106.65 60.33 0.36 Allowed Glycine 0 CA--C 1.531 1.041 0 O-C-N 124.527 1.142 . . . . 0.0 111.012 179.979 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 101' ' ' ARG . . . . . 0.546 ' NH1' ' CB ' ' A' ' 98' ' ' ALA . 0.0 OUTLIER -70.81 -24.77 62.62 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.513 0.772 . . . . 0.0 110.316 179.983 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -71.4 -5.7 34.68 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.532 1.145 . . . . 0.0 110.261 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 103' ' ' LEU . . . . . 0.559 HD11 ' HD3' ' A' ' 40' ' ' LYS . 30.6 mt -79.16 -17.3 55.21 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.541 1.15 . . . . 0.0 109.322 179.978 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 104' ' ' PHE . . . . . 0.594 ' CZ ' ' O ' ' A' ' 45' ' ' ILE . 52.3 m-85 -122.81 48.09 1.84 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.451 1.094 . . . . 0.0 111.041 179.973 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 105' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -67.9 -74.6 0.12 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.512 1.133 . . . . 0.0 110.993 -179.972 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 13.2 t -59.38 168.77 1.4 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.507 1.129 . . . . 0.0 110.399 179.98 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 8.3 t70 -98.09 173.04 7.23 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.492 1.12 . . . . 0.0 109.316 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 4.0 ttt180 -168.9 106.84 0.44 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.499 1.124 . . . . 0.0 110.303 179.991 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 39.6 t -103.01 124.54 48.71 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.529 1.143 . . . . 0.0 110.006 179.974 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . -105.98 146.49 16.08 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.52 1.137 . . . . 0.0 111.019 179.969 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 111' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.92 -177.48 3.48 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.534 1.807 . . . . 0.0 111.037 179.972 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 28.8 t -126.99 145.93 50.53 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.515 1.135 . . . . 0.0 109.995 179.982 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -55.97 133.09 51.4 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.498 1.124 . . . . 0.0 110.025 179.977 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.975 0 O-C-N 124.503 1.127 . . . . 0.0 110.987 -179.98 . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.996 0 N-CA-C 110.979 -0.848 . . . . 0.0 110.979 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -80.92 100.15 8.74 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.496 0.762 . . . . 0.0 109.984 179.983 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -168.77 -58.62 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.471 1.107 . . . . 0.0 109.994 179.962 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 46.01 79.5 0.06 OUTLIER Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.466 1.103 . . . . 0.0 110.985 -179.954 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 28.7 t -117.78 83.02 1.92 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.518 0.775 . . . . 0.0 109.995 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 2.4 t -106.34 29.15 7.08 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.483 1.115 . . . . 0.0 109.967 -179.988 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 124.76 -73.21 0.42 Allowed Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.488 1.117 . . . . 0.0 111.025 -179.98 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 16.3 m -128.49 152.59 78.6 Favored Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.455 0.738 . . . . 0.0 110.025 179.973 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 127.12 10.44 Favored 'Trans proline' 0 C--N 1.36 1.132 0 O-C-N 124.545 1.813 . . . . 0.0 111.001 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 152.7 91.89 0.09 OUTLIER Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.477 1.111 . . . . 0.0 110.964 -179.996 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 3.4 t-20 -157.35 109.68 2.43 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.495 0.762 . . . . 0.0 109.32 179.98 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -176.1 108.72 0.09 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.52 1.137 . . . . 0.0 110.256 -179.969 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 42.2 tt0 -173.4 123.83 0.39 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.495 1.122 . . . . 0.0 110.304 179.976 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 2.8 t-20 -178.7 -61.77 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.509 1.131 . . . . 0.0 109.325 179.976 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -98.97 171.06 8.28 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.486 1.116 . . . . 0.0 109.273 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 16' ' ' GLU . . . . . 0.401 ' HG3' HG22 ' A' ' 96' ' ' VAL . 17.6 mt-10 46.22 91.17 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.52 1.138 . . . . 0.0 110.29 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 17' ' ' LYS . . . . . 0.653 ' HE3' HD11 ' A' ' 95' ' ' ILE . 0.6 OUTLIER -112.29 154.78 25.14 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.537 1.148 . . . . 0.0 109.315 179.962 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -105.27 118.76 37.37 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.495 1.122 . . . . 0.0 109.263 -179.956 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 19' ' ' VAL . . . . . 0.437 HG23 ' O ' ' A' ' 93' ' ' ILE . 0.0 OUTLIER -120.12 124.6 73.0 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.438 1.086 . . . . 0.0 109.254 -179.988 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 20' ' ' PHE . . . . . 0.479 ' CD1' ' O ' ' A' ' 91' ' ' LEU . 0.1 OUTLIER -101.73 112.11 24.59 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.466 1.104 . . . . 0.0 111.045 179.938 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 21' ' ' ILE . . . . . 0.4 HG23 ' HG ' ' A' ' 53' ' ' LEU . 20.2 mm -99.11 121.65 49.95 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.507 1.129 . . . . 0.0 109.348 -179.997 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 22' ' ' SER . . . . . 0.58 ' OG ' HG13 ' A' ' 24' ' ' VAL . 12.3 t -110.93 140.75 45.16 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.491 1.12 . . . . 0.0 109.991 -179.983 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.419 HD22 ' C ' ' A' ' 22' ' ' SER . 4.2 mm? -113.25 51.45 0.84 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.497 1.123 . . . . 0.0 109.27 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 24' ' ' VAL . . . . . 0.58 HG13 ' OG ' ' A' ' 22' ' ' SER . 3.4 m -108.61 152.44 10.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.542 1.151 . . . . 0.0 109.334 179.971 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 69.45 -167.54 47.1 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.571 1.169 . . . . 0.0 111.003 -179.941 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 6.1 t -77.85 62.39 2.67 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.51 0.771 . . . . 0.0 110.015 179.995 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 27' ' ' ARG . . . . . 0.432 ' NH1' ' OE1' ' A' ' 56' ' ' GLU . 11.3 mtt180 -137.32 136.16 37.72 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.47 1.106 . . . . 0.0 110.298 179.988 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -140.58 131.82 5.17 Favored Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.557 1.161 . . . . 0.0 110.99 179.988 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 29' ' ' LEU . . . . . 0.51 HD11 ' SG ' ' A' ' 31' ' ' CYS . 2.2 tp -40.48 128.21 2.43 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.521 0.777 . . . . 0.0 109.303 -179.99 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -118.83 28.32 6.75 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.516 1.135 . . . . 0.0 111.017 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 31' ' ' CYS . . . . . 0.51 ' SG ' HD11 ' A' ' 29' ' ' LEU . 28.7 p -121.56 147.4 45.87 Favored 'General case' 0 C--N 1.325 -0.48 0 N-CA-C 108.319 -0.993 . . . . 0.0 108.319 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -111.14 141.35 44.76 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.55 1.156 . . . . 0.0 109.987 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 33' ' ' ILE . . . . . 0.564 HD11 HG23 ' A' ' 82' ' ' VAL . 11.3 pt -109.4 145.24 16.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.453 1.095 . . . . 0.0 109.276 -179.966 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 48.5 m -126.86 152.58 46.83 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.523 1.14 . . . . 0.0 109.999 -179.999 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 11.2 p -80.19 150.24 30.21 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.497 1.123 . . . . 0.0 109.968 -179.977 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -103.21 163.27 15.82 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.54 1.15 . . . . 0.0 110.977 -179.966 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.04 -170.2 0.75 Allowed 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.463 1.77 . . . . 0.0 111.007 179.963 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 5.5 tt -74.04 -29.75 26.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.458 1.099 . . . . 0.0 109.307 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 11.8 pt20 -79.35 -28.66 42.03 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.522 1.139 . . . . 0.0 110.288 179.977 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 40' ' ' LYS . . . . . 0.78 ' HG2' HD11 ' A' ' 103' ' ' LEU . 0.0 OUTLIER -136.41 61.56 38.82 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.541 1.151 . . . . 0.0 109.302 179.984 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 41' ' ' PRO . . . . . 0.475 ' HD3' ' N ' ' A' ' 40' ' ' LYS . 18.3 Cg_endo -75.0 146.64 32.88 Favored 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.479 1.778 . . . . 0.0 111.0 179.988 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 138.83 -164.67 25.74 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.523 1.139 . . . . 0.0 111.017 179.998 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 43' ' ' ILE . . . . . 0.498 ' CG2' HD12 ' A' ' 65' ' ' ILE . 30.3 mm -107.84 125.93 64.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.527 0.78 . . . . 0.0 109.296 179.981 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 44' ' ' PHE . . . . . 0.57 ' CD2' ' HB2' ' A' ' 64' ' ' GLN . 19.4 m-85 -133.55 128.7 35.82 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.523 1.139 . . . . 0.0 111.03 179.956 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 45' ' ' ILE . . . . . 0.58 ' O ' ' CE2' ' A' ' 104' ' ' PHE . 5.1 mt -57.7 151.97 3.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.46 1.1 . . . . 0.0 109.249 -179.982 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 5.4 p -120.49 -40.87 2.63 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.468 1.105 . . . . 0.0 110.042 179.961 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 65.3 t-80 -146.72 157.42 43.69 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.517 1.136 . . . . 0.0 109.556 179.986 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 37.4 t -143.35 120.16 5.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.457 1.098 . . . . 0.0 109.304 179.973 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 21.3 mttt -67.75 156.53 88.92 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.496 1.123 . . . . 0.0 109.319 179.96 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.07 120.12 5.91 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.439 1.758 . . . . 0.0 110.963 -179.968 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 73.73 20.96 79.81 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.511 1.132 . . . . 0.0 111.015 -179.977 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 52' ' ' SER . . . . . 0.484 ' H ' ' HB3' ' A' ' 55' ' ' ALA . 1.3 p -70.1 -157.81 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.526 0.78 . . . . 0.0 109.994 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 53' ' ' LEU . . . . . 0.502 ' HA ' HD13 ' A' ' 53' ' ' LEU . 0.0 OUTLIER -82.98 -27.08 30.71 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.573 1.171 . . . . 0.0 109.335 179.978 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 54' ' ' SER . . . . . 0.465 ' CB ' ' HB2' ' A' ' 59' ' ' LEU . 0.0 OUTLIER -94.61 -28.86 15.16 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.527 1.142 . . . . 0.0 110.03 179.966 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 55' ' ' ALA . . . . . 0.484 ' HB3' ' H ' ' A' ' 52' ' ' SER . . . -73.82 -10.83 60.07 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.5 1.125 . . . . 0.0 109.294 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 56' ' ' GLU . . . . . 0.553 ' HG3' HG13 ' A' ' 57' ' ' VAL . 2.9 pt-20 -90.59 -34.56 15.44 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.522 1.139 . . . . 0.0 110.286 179.993 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 57' ' ' VAL . . . . . 0.553 HG13 ' HG3' ' A' ' 56' ' ' GLU . 2.2 m -84.79 -23.86 7.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.508 1.13 . . . . 0.0 109.28 -179.988 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 106.71 23.97 6.91 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.501 1.126 . . . . 0.0 111.003 -179.977 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 59' ' ' LEU . . . . . 0.48 HD23 ' OD2' ' A' ' 63' ' ' ASP . 13.5 mt -81.08 137.61 35.99 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.508 0.77 . . . . 0.0 109.325 179.97 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 19.5 mt-10 -140.53 173.07 11.86 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.548 1.155 . . . . 0.0 110.328 179.953 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 67.1 mt -56.4 130.7 19.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.521 1.138 . . . . 0.0 109.302 179.962 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 116.37 -36.53 3.76 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.511 1.132 . . . . 0.0 110.98 180.0 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 63' ' ' ASP . . . . . 0.529 ' CG ' HD13 ' A' ' 95' ' ' ILE . 82.1 m-20 -56.15 98.56 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.484 0.755 . . . . 0.0 109.326 -179.981 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 64' ' ' GLN . . . . . 0.609 ' HB3' ' HB3' ' A' ' 99' ' ' ALA . 4.7 tt0 -83.47 134.48 34.85 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.523 1.14 . . . . 0.0 110.319 -179.986 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 65' ' ' ILE . . . . . 0.764 HG23 HG23 ' A' ' 93' ' ' ILE . 26.6 mt -87.11 110.64 20.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.485 1.116 . . . . 0.0 109.307 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 66' ' ' VAL . . . . . 0.66 HG22 ' O ' ' A' ' 94' ' ' SER . 17.3 m -102.08 -22.19 4.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.493 1.12 . . . . 0.0 109.352 179.947 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 67' ' ' GLU . . . . . 0.415 ' HG2' ' N ' ' A' ' 68' ' ' VAL . 25.0 tt0 -153.05 147.13 25.52 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.519 1.137 . . . . 0.0 110.281 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 68' ' ' VAL . . . . . 0.744 ' O ' HG23 ' A' ' 71' ' ' VAL . 98.5 t -145.73 129.11 10.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.491 1.12 . . . . 0.0 109.285 -179.967 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 69' ' ' ASN . . . . . 0.776 HD22 HD23 ' A' ' 91' ' ' LEU . 1.1 t-20 43.92 31.8 0.54 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.506 1.129 . . . . 0.0 109.32 179.971 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 77.66 41.08 20.64 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.499 1.124 . . . . 0.0 111.039 -179.928 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 71' ' ' VAL . . . . . 0.744 HG23 ' O ' ' A' ' 68' ' ' VAL . 64.2 t -115.46 157.51 16.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.494 0.761 . . . . 0.0 109.308 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 2.0 t0 -91.51 88.69 6.89 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.51 1.131 . . . . 0.0 109.325 179.975 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 73' ' ' PHE . . . . . 0.872 ' CD1' HD12 ' A' ' 76' ' ' LEU . 3.3 m-85 -90.78 21.72 3.95 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.467 1.104 . . . . 0.0 110.96 -179.963 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -74.79 -50.65 16.47 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.535 1.147 . . . . 0.0 109.976 -179.977 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 66.4 m-80 -119.64 50.22 1.28 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.469 1.105 . . . . 0.0 109.293 179.985 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 76' ' ' LEU . . . . . 0.872 HD12 ' CD1' ' A' ' 73' ' ' PHE . 7.0 mt -92.58 -167.43 1.75 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.506 1.129 . . . . 0.0 109.31 179.976 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 28.1 t70 -133.99 170.92 14.92 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.499 1.124 . . . . 0.0 109.339 179.982 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 78' ' ' HIS . . . . . . . . . . . . . 37.9 t-80 -70.61 -7.19 42.27 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.497 1.123 . . . . 0.0 109.566 -179.96 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -107.72 -39.24 5.64 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.498 1.124 . . . . 0.0 109.285 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 80' ' ' GLU . . . . . 0.828 ' O ' HG23 ' A' ' 84' ' ' VAL . 5.1 mt-10 -75.94 -41.02 52.88 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.531 1.144 . . . . 0.0 110.3 179.988 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 81' ' ' ALA . . . . . 0.527 ' HA ' HD13 ' A' ' 76' ' ' LEU . . . -66.07 -24.11 66.66 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.481 1.113 . . . . 0.0 109.342 179.988 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 82' ' ' VAL . . . . . 0.564 HG23 HD11 ' A' ' 33' ' ' ILE . 35.5 t -89.92 -50.33 13.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.526 1.141 . . . . 0.0 109.265 179.974 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 2.0 m-20 -50.01 -41.2 46.71 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.516 1.135 . . . . 0.0 109.267 -179.957 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 84' ' ' VAL . . . . . 0.828 HG23 ' O ' ' A' ' 80' ' ' GLU . 75.4 t -65.92 -25.11 35.36 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.496 1.122 . . . . 0.0 109.294 -179.969 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 85' ' ' LEU . . . . . 0.464 ' N ' ' O ' ' A' ' 82' ' ' VAL . 55.7 mt -80.75 -34.63 34.19 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.542 1.152 . . . . 0.0 109.298 -179.975 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 86' ' ' LYS . . . . . 0.491 ' CE ' ' CG1' ' A' ' 82' ' ' VAL . 4.0 mttm -74.11 -24.93 59.52 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.517 1.136 . . . . 0.0 109.316 179.984 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 87' ' ' SER . . . . . 0.444 ' C ' ' O ' ' A' ' 86' ' ' LYS . 15.1 t -35.3 -70.78 0.08 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.522 1.139 . . . . 0.0 110.01 179.978 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -125.82 -171.58 2.41 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.46 1.1 . . . . 0.0 109.966 -179.956 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 4.2 mmt180 -93.93 -52.53 4.38 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.457 1.098 . . . . 0.0 110.315 -179.998 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -86.65 109.74 19.38 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.435 1.084 . . . . 0.0 109.99 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 91' ' ' LEU . . . . . 0.776 HD23 HD22 ' A' ' 69' ' ' ASN . 1.1 mp -128.53 153.75 46.86 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.489 1.118 . . . . 0.0 109.346 179.965 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 3.3 m -110.28 100.03 8.97 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.501 1.125 . . . . 0.0 110.393 -179.967 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 93' ' ' ILE . . . . . 0.764 HG23 HG23 ' A' ' 65' ' ' ILE . 11.5 mt -89.56 132.17 34.97 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.451 1.094 . . . . 0.0 109.316 179.985 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 94' ' ' SER . . . . . 0.66 ' O ' HG22 ' A' ' 66' ' ' VAL . 0.5 OUTLIER -111.7 101.44 9.81 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.478 1.111 . . . . 0.0 110.001 -179.988 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 95' ' ' ILE . . . . . 0.653 HD11 ' HE3' ' A' ' 17' ' ' LYS . 1.1 pt -100.59 166.68 2.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.573 1.171 . . . . 0.0 109.253 -179.981 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 96' ' ' VAL . . . . . 0.879 ' HB ' ' HB2' ' A' ' 99' ' ' ALA . 74.4 t -108.33 32.85 0.79 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.547 1.154 . . . . 0.0 109.287 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 97' ' ' ALA . . . . . 0.559 ' HB2' ' HE2' ' A' ' 17' ' ' LYS . . . 46.09 94.02 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.512 1.133 . . . . 0.0 109.33 179.962 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 98' ' ' ALA . . . . . 0.603 ' HB1' ' HG3' ' A' ' 101' ' ' ARG . . . 48.42 56.89 6.84 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.491 1.119 . . . . 0.0 109.242 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 99' ' ' ALA . . . . . 0.879 ' HB2' ' HB ' ' A' ' 96' ' ' VAL . . . -60.28 -74.69 0.07 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.488 1.118 . . . . 0.0 109.34 179.939 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . -97.81 55.38 1.18 Allowed Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.497 1.123 . . . . 0.0 111.062 179.949 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 101' ' ' ARG . . . . . 0.603 ' HG3' ' HB1' ' A' ' 98' ' ' ALA . 0.0 OUTLIER -63.82 -42.33 97.69 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.468 0.746 . . . . 0.0 110.279 -179.96 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 7.9 pt-20 -42.44 -35.48 1.05 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.468 1.105 . . . . 0.0 110.283 -179.966 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 103' ' ' LEU . . . . . 0.78 HD11 ' HG2' ' A' ' 40' ' ' LYS . 73.5 mt -46.39 -43.57 16.4 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.53 1.144 . . . . 0.0 109.246 -179.988 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 104' ' ' PHE . . . . . 0.58 ' CE2' ' O ' ' A' ' 45' ' ' ILE . 6.1 m-85 -113.13 61.76 0.64 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.507 1.129 . . . . 0.0 111.021 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 105' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -104.82 50.72 0.78 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.487 1.117 . . . . 0.0 111.028 179.973 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 13.2 t -133.68 160.05 38.69 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.451 1.094 . . . . 0.0 110.411 179.992 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -102.69 -50.76 3.47 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.47 1.106 . . . . 0.0 109.337 179.985 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 1.9 mmt85 -45.67 143.96 1.82 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.464 1.103 . . . . 0.0 110.294 -179.971 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 3.8 t -160.28 -56.9 0.06 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.526 1.141 . . . . 0.0 110.01 -179.97 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 156.87 145.23 4.14 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.527 1.142 . . . . 0.0 110.976 179.985 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 111' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 56.72 4.33 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.464 1.77 . . . . 0.0 110.994 179.968 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 41.51 79.57 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.482 1.114 . . . . 0.0 110.011 180.0 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 16.1 m -40.68 -64.85 0.48 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.461 1.1 . . . . 0.0 110.034 -179.981 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.017 0 O-C-N 124.511 1.132 . . . . 0.0 110.969 -179.989 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.993 0 N-CA-C 110.987 -0.845 . . . . 0.0 110.987 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -178.55 134.69 0.14 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.495 0.762 . . . . 0.0 109.984 -179.982 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER 179.12 167.7 0.98 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.448 1.092 . . . . 0.0 109.998 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 146.34 98.71 0.23 Allowed Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.507 1.13 . . . . 0.0 110.971 179.951 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 4.2 t 175.21 107.73 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.516 0.774 . . . . 0.0 110.006 179.97 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -98.59 -28.29 13.63 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.516 1.135 . . . . 0.0 110.003 -179.988 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 48.6 97.61 0.01 OUTLIER Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.525 1.141 . . . . 0.0 111.031 -179.998 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -107.14 135.78 19.57 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.556 0.798 . . . . 0.0 109.999 179.984 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.97 178.68 6.93 Favored 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.5 1.789 . . . . 0.0 111.025 179.948 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 124.89 123.62 2.74 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.481 1.113 . . . . 0.0 110.964 179.962 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 72.6 m-80 -163.35 124.69 2.41 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.497 0.763 . . . . 0.0 109.32 179.954 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 4.3 mtp180 -177.11 140.68 0.31 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.524 1.14 . . . . 0.0 110.296 -179.979 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 1.8 mt-10 -176.92 141.87 0.36 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.502 1.126 . . . . 0.0 110.331 179.952 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER 171.51 -58.36 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.523 1.14 . . . . 0.0 109.344 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 4.1 mttt -85.19 170.59 12.72 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.526 1.141 . . . . 0.0 109.301 179.973 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 16' ' ' GLU . . . . . 0.413 ' HG3' HG22 ' A' ' 96' ' ' VAL . 17.9 mt-10 49.01 95.41 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.438 1.086 . . . . 0.0 110.279 179.97 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 17' ' ' LYS . . . . . 0.74 ' HE3' HD11 ' A' ' 95' ' ' ILE . 0.6 OUTLIER -118.57 146.73 44.37 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.519 1.137 . . . . 0.0 109.295 179.995 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -94.98 129.83 41.89 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.498 1.124 . . . . 0.0 109.316 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -131.86 118.24 37.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.515 1.134 . . . . 0.0 109.253 -179.943 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -95.83 112.76 24.41 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.516 1.135 . . . . 0.0 111.027 179.974 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 21' ' ' ILE . . . . . 0.538 ' CG1' HD12 ' A' ' 93' ' ' ILE . 33.3 mm -96.68 120.61 46.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.46 1.1 . . . . 0.0 109.289 -179.973 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 22' ' ' SER . . . . . 0.964 ' O ' HD11 ' A' ' 53' ' ' LEU . 6.4 t -112.26 109.01 18.43 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.537 1.148 . . . . 0.0 110.015 179.979 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.521 ' CD2' HG22 ' A' ' 21' ' ' ILE . 3.3 mm? -77.63 61.0 2.27 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.422 1.076 . . . . 0.0 109.294 -179.993 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 3.5 m -126.65 163.3 29.25 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.553 1.158 . . . . 0.0 109.28 -179.986 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 55.47 -171.87 1.49 Allowed Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.548 1.155 . . . . 0.0 111.007 179.97 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 58.3 p -63.85 82.57 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.492 0.76 . . . . 0.0 109.97 -179.984 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 171.22 110.56 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.49 1.119 . . . . 0.0 110.303 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 28' ' ' GLY . . . . . 0.446 ' HA2' ' CD1' ' A' ' 23' ' ' LEU . . . -122.3 33.15 4.27 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.462 1.101 . . . . 0.0 111.005 -179.994 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 29' ' ' LEU . . . . . 0.401 ' CB ' ' O ' ' A' ' 28' ' ' GLY . 0.9 OUTLIER 80.96 121.93 0.05 OUTLIER 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.511 0.771 . . . . 0.0 109.342 -179.957 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -120.52 22.66 8.21 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.527 1.142 . . . . 0.0 111.014 -179.957 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 26.7 p -111.18 166.79 10.78 Favored 'General case' 0 C--N 1.325 -0.472 0 N-CA-C 108.29 -1.004 . . . . 0.0 108.29 179.983 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -124.81 142.05 51.69 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.508 1.13 . . . . 0.0 110.001 -179.994 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 33' ' ' ILE . . . . . 0.465 HD11 ' CG2' ' A' ' 82' ' ' VAL . 6.6 pt -116.51 149.38 18.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.502 1.126 . . . . 0.0 109.296 179.953 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -137.87 169.64 17.43 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.477 1.111 . . . . 0.0 110.006 179.978 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 78.2 p -93.32 143.38 26.33 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.481 1.113 . . . . 0.0 109.976 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -94.43 165.13 26.01 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.511 1.132 . . . . 0.0 110.994 179.974 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.96 -169.12 0.58 Allowed 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.497 1.788 . . . . 0.0 111.006 179.988 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 0.7 OUTLIER -75.1 -30.29 23.03 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.448 1.093 . . . . 0.0 109.316 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 12.4 pt20 -78.64 -28.92 45.59 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.509 1.131 . . . . 0.0 110.3 -179.985 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 40' ' ' LYS . . . . . 0.473 ' N ' ' HD3' ' A' ' 41' ' ' PRO . 0.0 OUTLIER -136.44 61.76 39.69 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.473 1.108 . . . . 0.0 109.283 -179.992 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 41' ' ' PRO . . . . . 0.473 ' HD3' ' N ' ' A' ' 40' ' ' LYS . 18.2 Cg_endo -75.07 144.97 30.65 Favored 'Trans proline' 0 C--N 1.36 1.132 0 O-C-N 124.489 1.784 . . . . 0.0 110.956 -179.97 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 142.71 -157.62 26.79 Favored Glycine 0 CA--C 1.531 1.044 0 O-C-N 124.517 1.136 . . . . 0.0 110.977 179.972 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 43' ' ' ILE . . . . . 0.411 ' O ' ' N ' ' A' ' 65' ' ' ILE . 20.5 mm -117.08 126.14 74.3 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.506 0.768 . . . . 0.0 109.305 -179.987 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 44' ' ' PHE . . . . . 0.585 ' CD2' ' HB2' ' A' ' 64' ' ' GLN . 2.0 m-85 -133.94 139.17 45.95 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.469 1.105 . . . . 0.0 110.988 -179.977 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 45' ' ' ILE . . . . . 0.426 ' O ' ' CZ ' ' A' ' 104' ' ' PHE . 12.9 mt -67.97 141.69 17.36 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.462 1.101 . . . . 0.0 109.278 179.984 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 46' ' ' SER . . . . . 0.549 ' HA ' ' CE2' ' A' ' 104' ' ' PHE . 1.0 OUTLIER -103.78 -37.13 7.59 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.543 1.152 . . . . 0.0 109.955 -179.998 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 66.5 t-80 -153.99 163.37 40.17 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.487 1.117 . . . . 0.0 109.559 -179.972 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 55.9 t -144.87 125.28 7.48 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.477 1.111 . . . . 0.0 109.291 179.994 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 7.4 mttp -73.21 155.32 90.11 Favored Pre-proline 0 C--N 1.326 -0.442 0 O-C-N 124.442 1.089 . . . . 0.0 109.326 179.995 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.95 123.38 7.86 Favored 'Trans proline' 0 C--N 1.36 1.133 0 O-C-N 124.444 1.76 . . . . 0.0 110.995 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 72.73 22.08 79.26 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.523 1.139 . . . . 0.0 110.973 -180.0 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 30.0 p -73.71 -173.96 1.63 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.478 0.752 . . . . 0.0 109.972 -179.975 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 53' ' ' LEU . . . . . 0.964 HD11 ' O ' ' A' ' 22' ' ' SER . 0.4 OUTLIER -76.55 -18.13 58.85 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.551 1.157 . . . . 0.0 109.276 -179.952 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 54' ' ' SER . . . . . 0.838 ' O ' HG22 ' A' ' 57' ' ' VAL . 0.1 OUTLIER -95.04 -34.2 12.42 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.55 1.156 . . . . 0.0 109.992 -179.975 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -71.05 -36.74 72.43 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.541 1.151 . . . . 0.0 109.322 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 56' ' ' GLU . . . . . 0.577 ' HG3' HG13 ' A' ' 57' ' ' VAL . 4.7 pt-20 -57.22 -31.92 65.99 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.487 1.117 . . . . 0.0 110.304 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 57' ' ' VAL . . . . . 0.838 HG22 ' O ' ' A' ' 54' ' ' SER . 13.5 m -86.82 -25.71 6.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.476 1.11 . . . . 0.0 109.308 -179.977 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 102.9 41.92 2.2 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.534 1.146 . . . . 0.0 110.979 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 59' ' ' LEU . . . . . 0.503 ' HG ' HG23 ' A' ' 57' ' ' VAL . 25.3 mt -93.12 140.51 29.43 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.515 0.773 . . . . 0.0 109.324 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 13.4 mt-10 -135.38 173.62 11.52 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.496 1.123 . . . . 0.0 110.313 179.979 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 47.9 mt -64.28 126.34 22.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.446 1.091 . . . . 0.0 109.244 -179.964 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 62' ' ' GLY . . . . . 0.4 ' O ' ' N ' ' A' ' 64' ' ' GLN . . . 122.17 -35.48 3.49 Favored Glycine 0 CA--C 1.529 0.959 0 O-C-N 124.528 1.142 . . . . 0.0 111.048 179.995 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 63' ' ' ASP . . . . . 0.563 ' CG ' HD13 ' A' ' 95' ' ' ILE . 75.9 m-20 -49.85 96.33 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.468 0.746 . . . . 0.0 109.282 179.995 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 64' ' ' GLN . . . . . 0.585 ' HB2' ' CD2' ' A' ' 44' ' ' PHE . 40.7 tt0 -83.11 117.34 22.8 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.529 1.143 . . . . 0.0 110.321 179.954 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 65' ' ' ILE . . . . . 0.802 HG23 HG23 ' A' ' 93' ' ' ILE . 42.3 mt -71.05 106.65 1.94 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.5 1.125 . . . . 0.0 109.288 -179.974 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 66' ' ' VAL . . . . . 0.823 HG22 ' O ' ' A' ' 94' ' ' SER . 14.9 m -95.22 -23.34 5.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.482 1.114 . . . . 0.0 109.309 179.95 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 67' ' ' GLU . . . . . 0.424 ' HG2' ' N ' ' A' ' 68' ' ' VAL . 36.3 tt0 -151.83 156.37 40.04 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.521 1.138 . . . . 0.0 110.305 179.948 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 68' ' ' VAL . . . . . 0.745 ' O ' HG23 ' A' ' 71' ' ' VAL . 75.2 t -151.98 120.03 0.76 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.474 1.109 . . . . 0.0 109.328 -179.981 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 69' ' ' ASN . . . . . 0.831 ' ND2' HD23 ' A' ' 91' ' ' LEU . 1.2 t-20 51.78 23.82 2.2 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.453 1.095 . . . . 0.0 109.286 -179.964 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 88.96 21.34 42.82 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.552 1.158 . . . . 0.0 110.952 179.949 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 71' ' ' VAL . . . . . 0.745 HG23 ' O ' ' A' ' 68' ' ' VAL . 63.9 t -94.68 146.13 7.16 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.443 0.731 . . . . 0.0 109.285 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 8.3 t0 -82.48 86.27 6.79 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.511 1.132 . . . . 0.0 109.282 -179.989 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 73' ' ' PHE . . . . . 0.782 ' CD1' HD12 ' A' ' 76' ' ' LEU . 3.4 m-85 -88.65 29.67 0.98 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.461 1.101 . . . . 0.0 110.978 -179.986 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 3.1 t -71.87 -68.81 0.43 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.521 1.138 . . . . 0.0 109.979 -179.984 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 3.5 m-80 -109.95 46.58 1.01 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.522 1.139 . . . . 0.0 109.298 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 76' ' ' LEU . . . . . 0.782 HD12 ' CD1' ' A' ' 73' ' ' PHE . 7.2 mt -79.9 -167.51 1.29 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.462 1.101 . . . . 0.0 109.282 179.995 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 26.3 t0 -135.82 171.4 14.52 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.528 1.142 . . . . 0.0 109.26 -179.982 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 78' ' ' HIS . . . . . . . . . . . . . 64.9 t-80 -71.24 -6.62 41.04 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.487 1.117 . . . . 0.0 109.628 179.985 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 10.1 mmtt -108.0 -36.92 6.21 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.525 1.141 . . . . 0.0 109.283 -179.984 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 80' ' ' GLU . . . . . 0.878 ' O ' HG23 ' A' ' 84' ' ' VAL . 2.2 mt-10 -78.84 -38.17 38.65 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.485 1.116 . . . . 0.0 110.306 179.973 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 81' ' ' ALA . . . . . 0.441 ' HB1' ' CE2' ' A' ' 73' ' ' PHE . . . -70.92 -32.47 69.4 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.466 1.103 . . . . 0.0 109.323 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 82' ' ' VAL . . . . . 0.5 ' O ' ' N ' ' A' ' 85' ' ' LEU . 15.4 t -77.29 -56.62 7.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.465 1.103 . . . . 0.0 109.293 179.991 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 13.6 t30 -45.54 -45.07 13.22 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.504 1.127 . . . . 0.0 109.323 -179.992 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 84' ' ' VAL . . . . . 0.878 HG23 ' O ' ' A' ' 80' ' ' GLU . 75.3 t -59.33 -34.11 53.12 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.513 1.133 . . . . 0.0 109.298 179.966 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 85' ' ' LEU . . . . . 0.5 ' N ' ' O ' ' A' ' 82' ' ' VAL . 49.8 mt -72.8 -37.28 67.59 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.49 1.119 . . . . 0.0 109.294 179.983 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 86' ' ' LYS . . . . . 0.418 ' HG3' ' O ' ' A' ' 82' ' ' VAL . 3.9 mttm -70.2 -25.96 63.66 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.481 1.113 . . . . 0.0 109.277 -179.938 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 87' ' ' SER . . . . . 0.416 ' C ' ' O ' ' A' ' 86' ' ' LYS . 35.6 t -37.02 -69.6 0.11 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.487 1.117 . . . . 0.0 110.005 -179.991 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 88' ' ' SER . . . . . 0.771 ' O ' HD11 ' A' ' 91' ' ' LEU . 0.3 OUTLIER -132.1 175.35 9.31 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.575 1.172 . . . . 0.0 110.023 179.989 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 2.8 mmt85 -81.56 -58.04 3.2 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.467 1.104 . . . . 0.0 110.285 -179.992 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -79.23 112.31 16.32 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.519 1.137 . . . . 0.0 110.006 179.991 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 91' ' ' LEU . . . . . 0.831 HD23 ' ND2' ' A' ' 69' ' ' ASN . 0.9 OUTLIER -133.5 153.01 51.98 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.529 1.143 . . . . 0.0 109.318 179.967 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 6.7 m -107.79 100.53 9.9 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.513 1.133 . . . . 0.0 110.405 -179.991 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 93' ' ' ILE . . . . . 0.802 HG23 HG23 ' A' ' 65' ' ' ILE . 16.9 mt -89.57 134.77 27.82 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.494 1.121 . . . . 0.0 109.264 -179.981 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 94' ' ' SER . . . . . 0.823 ' O ' HG22 ' A' ' 66' ' ' VAL . 0.2 OUTLIER -113.68 100.33 8.4 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.511 1.132 . . . . 0.0 110.014 179.976 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 95' ' ' ILE . . . . . 0.74 HD11 ' HE3' ' A' ' 17' ' ' LYS . 1.1 pt -100.38 169.49 1.66 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.542 1.151 . . . . 0.0 109.276 -179.965 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 96' ' ' VAL . . . . . 0.923 ' HB ' ' HB2' ' A' ' 99' ' ' ALA . 72.2 t -112.84 34.49 0.92 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.509 1.131 . . . . 0.0 109.307 179.991 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 97' ' ' ALA . . . . . 0.557 ' H ' HD12 ' A' ' 95' ' ' ILE . . . 45.53 93.83 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.543 1.152 . . . . 0.0 109.256 179.984 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . 46.47 58.56 4.49 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.488 1.118 . . . . 0.0 109.333 -179.971 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 99' ' ' ALA . . . . . 0.923 ' HB2' ' HB ' ' A' ' 96' ' ' VAL . . . -62.27 -67.3 0.43 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.526 1.141 . . . . 0.0 109.323 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . -107.17 60.23 0.35 Allowed Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.527 1.142 . . . . 0.0 111.021 179.945 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 6.3 ptt-85 -76.76 -17.08 59.27 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.503 0.767 . . . . 0.0 110.301 179.986 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 7.5 pt-20 -71.23 -8.13 51.52 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.517 1.136 . . . . 0.0 110.287 -179.986 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 43.8 mt -73.27 -20.52 60.81 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.466 1.104 . . . . 0.0 109.275 179.988 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 104' ' ' PHE . . . . . 0.549 ' CE2' ' HA ' ' A' ' 46' ' ' SER . 4.8 m-85 -122.98 -49.12 1.98 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.499 1.124 . . . . 0.0 110.997 179.984 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 105' ' ' MET . . . . . 0.667 ' O ' HG22 ' A' ' 106' ' ' THR . 0.0 OUTLIER 69.01 -61.5 0.43 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.451 1.094 . . . . 0.0 111.04 -179.985 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 106' ' ' THR . . . . . 0.667 HG22 ' O ' ' A' ' 105' ' ' MET . 12.8 t 48.27 -174.52 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.541 1.151 . . . . 0.0 110.401 179.959 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 10.2 p-10 178.68 116.24 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.533 1.146 . . . . 0.0 109.309 -179.997 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 6.5 ptt180 -53.4 143.89 18.01 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.495 1.122 . . . . 0.0 110.254 -179.973 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 176.94 90.49 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.499 1.124 . . . . 0.0 109.974 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 96.97 121.44 4.12 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.458 1.099 . . . . 0.0 110.998 179.965 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 111' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.05 170.87 19.47 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.527 1.804 . . . . 0.0 110.983 -179.981 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -139.07 139.54 37.77 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.513 1.133 . . . . 0.0 109.996 -179.949 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 50.4 m -115.86 137.28 52.24 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.501 1.126 . . . . 0.0 109.988 179.977 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.023 0 O-C-N 124.425 1.078 . . . . 0.0 111.006 179.995 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.938 0 N-CA-C 111.006 -0.838 . . . . 0.0 111.006 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 43.6 m -90.06 101.25 13.96 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.474 0.749 . . . . 0.0 110.031 179.968 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.5 t -169.31 94.22 0.29 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.518 1.137 . . . . 0.0 109.989 -179.965 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -89.45 132.27 11.17 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.452 1.095 . . . . 0.0 111.025 179.965 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -82.23 160.26 23.03 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.515 0.773 . . . . 0.0 109.965 -179.979 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 6.8 m -98.45 -23.68 15.47 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.507 1.13 . . . . 0.0 110.023 179.95 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 92.11 144.85 14.44 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.485 1.115 . . . . 0.0 111.012 -179.984 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -117.76 138.99 25.81 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.52 0.777 . . . . 0.0 110.036 179.995 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 -55.08 0.08 OUTLIER 'Trans proline' 0 C--N 1.359 1.106 0 O-C-N 124.516 1.798 . . . . 0.0 110.972 -179.958 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 68.77 -100.01 0.65 Allowed Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.486 1.117 . . . . 0.0 111.013 -179.99 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 1.9 t-20 62.46 130.14 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.536 0.786 . . . . 0.0 109.299 179.978 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 6.3 ptt85 178.98 139.55 0.1 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.463 1.102 . . . . 0.0 110.26 179.988 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 6.0 pt-20 -174.57 57.03 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.473 1.108 . . . . 0.0 110.323 179.99 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -157.8 -64.11 0.09 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.517 1.136 . . . . 0.0 109.284 -179.98 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 1.6 mppt? -103.53 170.11 8.13 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.519 1.137 . . . . 0.0 109.259 -179.952 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 25.6 mt-10 38.69 87.95 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.504 1.127 . . . . 0.0 110.345 -179.979 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 17' ' ' LYS . . . . . 1.022 ' CE ' HD11 ' A' ' 95' ' ' ILE . 0.4 OUTLIER -110.81 142.95 42.13 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.519 1.137 . . . . 0.0 109.318 -179.99 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -95.11 133.72 38.62 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.465 1.103 . . . . 0.0 109.287 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 19' ' ' VAL . . . . . 0.752 HG22 ' O ' ' A' ' 93' ' ' ILE . 26.8 m -132.47 159.35 43.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.459 1.099 . . . . 0.0 109.244 -179.966 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 20' ' ' PHE . . . . . 0.501 ' CZ ' ' OG1' ' A' ' 92' ' ' THR . 0.1 OUTLIER -135.69 113.27 10.83 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.537 1.148 . . . . 0.0 110.993 -179.984 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 21' ' ' ILE . . . . . 0.693 HG23 HD23 ' A' ' 53' ' ' LEU . 1.1 mp -95.33 102.53 13.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.464 1.102 . . . . 0.0 109.318 179.982 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 22' ' ' SER . . . . . 0.629 ' O ' HD11 ' A' ' 53' ' ' LEU . 6.2 t -88.26 113.09 23.52 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.468 1.105 . . . . 0.0 109.994 -179.976 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.489 ' HB2' ' CA ' ' A' ' 89' ' ' ARG . 0.2 OUTLIER -90.84 69.15 6.44 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.542 1.151 . . . . 0.0 109.325 179.976 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 24' ' ' VAL . . . . . 0.743 HG23 ' O ' ' A' ' 24' ' ' VAL . 4.9 m -123.66 64.35 0.28 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.474 1.109 . . . . 0.0 109.32 179.973 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 168.9 -162.98 36.78 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.439 1.087 . . . . 0.0 111.019 -179.994 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 47.6 t -92.44 15.03 14.91 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.526 0.78 . . . . 0.0 109.957 -179.989 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -76.91 -76.62 0.16 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.511 1.132 . . . . 0.0 110.335 179.939 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 28' ' ' GLY . . . . . 0.463 ' HA2' ' CD2' ' A' ' 23' ' ' LEU . . . 62.08 48.42 83.3 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.501 1.126 . . . . 0.0 111.018 -179.99 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 29' ' ' LEU . . . . . 0.437 ' H ' HD22 ' A' ' 53' ' ' LEU . 3.2 tp 69.09 137.59 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.538 0.787 . . . . 0.0 109.309 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -126.13 7.91 7.61 Favored Glycine 0 CA--C 1.531 1.071 0 O-C-N 124.455 1.097 . . . . 0.0 111.004 -179.989 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 31' ' ' CYS . . . . . 0.655 ' HB3' HG22 ' A' ' 48' ' ' VAL . 14.9 p -106.46 142.92 35.34 Favored 'General case' 0 C--N 1.325 -0.49 0 N-CA-C 108.291 -1.003 . . . . 0.0 108.291 179.98 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -91.1 140.78 29.5 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.542 1.151 . . . . 0.0 110.004 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 7.5 pt -116.4 146.25 21.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.507 1.13 . . . . 0.0 109.3 -179.965 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -133.84 169.89 16.4 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.478 1.111 . . . . 0.0 109.967 180.0 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 50.7 p -103.46 131.6 50.43 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.483 1.115 . . . . 0.0 109.967 -179.956 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -75.55 171.29 54.31 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.449 1.093 . . . . 0.0 111.004 179.964 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 -176.24 2.78 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.543 1.812 . . . . 0.0 110.988 -179.969 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 38' ' ' ILE . . . . . 0.403 ' H ' HG22 ' A' ' 38' ' ' ILE . 5.0 tt -69.73 -28.25 36.5 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.468 1.105 . . . . 0.0 109.313 -179.976 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 6.0 pt20 -79.04 -30.55 44.17 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.499 1.125 . . . . 0.0 110.295 179.984 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 40' ' ' LYS . . . . . 0.457 ' N ' ' HD3' ' A' ' 41' ' ' PRO . 21.9 tttp -137.66 62.34 34.81 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.516 1.135 . . . . 0.0 109.307 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 41' ' ' PRO . . . . . 0.457 ' HD3' ' N ' ' A' ' 40' ' ' LYS . 18.2 Cg_endo -75.04 144.38 30.05 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.488 1.783 . . . . 0.0 110.982 -179.947 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 155.91 -160.57 30.12 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.552 1.158 . . . . 0.0 111.032 -179.988 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 43' ' ' ILE . . . . . 0.568 HG22 HD12 ' A' ' 65' ' ' ILE . 8.5 mm -121.19 105.94 17.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.536 0.786 . . . . 0.0 109.298 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 44' ' ' PHE . . . . . 0.638 ' CD2' HD12 ' A' ' 103' ' ' LEU . 3.3 m-85 -117.12 138.43 51.65 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.522 1.139 . . . . 0.0 110.998 -179.981 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 45' ' ' ILE . . . . . 0.431 ' O ' ' CZ ' ' A' ' 104' ' ' PHE . 16.5 mt -68.02 149.21 11.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.528 1.143 . . . . 0.0 109.288 179.977 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 1.4 p -113.91 -37.83 4.39 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.487 1.117 . . . . 0.0 110.003 179.986 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 53.7 t-80 -149.01 163.68 36.81 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.56 1.162 . . . . 0.0 109.603 179.986 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 48' ' ' VAL . . . . . 0.655 HG22 ' HB3' ' A' ' 31' ' ' CYS . 17.2 t -140.11 141.05 34.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.512 1.133 . . . . 0.0 109.31 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 12.7 mtpt -92.37 156.03 41.95 Favored Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.513 1.133 . . . . 0.0 109.289 -179.973 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 118.47 5.28 Favored 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.525 1.803 . . . . 0.0 110.984 -179.972 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 72.04 20.04 78.74 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.494 1.122 . . . . 0.0 111.005 -179.992 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 92.2 p -72.87 -166.54 0.3 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.483 0.755 . . . . 0.0 109.999 179.996 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 53' ' ' LEU . . . . . 0.693 HD23 HG23 ' A' ' 21' ' ' ILE . 2.8 tp -79.42 -14.45 58.93 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.506 1.129 . . . . 0.0 109.333 179.979 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 54' ' ' SER . . . . . 0.652 ' O ' HG22 ' A' ' 57' ' ' VAL . 0.0 OUTLIER -94.26 -43.78 8.27 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.508 1.13 . . . . 0.0 110.023 179.986 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 55' ' ' ALA . . . . . 0.407 ' O ' ' N ' ' A' ' 58' ' ' GLY . . . -65.11 -46.48 80.83 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.556 1.16 . . . . 0.0 109.291 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 56' ' ' GLU . . . . . 0.613 ' HG3' HG13 ' A' ' 57' ' ' VAL . 11.0 pt-20 -45.95 -36.06 5.18 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.478 1.111 . . . . 0.0 110.272 -179.984 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 57' ' ' VAL . . . . . 0.652 HG22 ' O ' ' A' ' 54' ' ' SER . 33.2 m -90.78 -26.23 5.23 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.514 1.134 . . . . 0.0 109.32 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 58' ' ' GLY . . . . . 0.407 ' N ' ' O ' ' A' ' 55' ' ' ALA . . . 103.78 36.6 3.19 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.457 1.098 . . . . 0.0 111.045 -179.985 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 59' ' ' LEU . . . . . 0.508 ' HG ' HG23 ' A' ' 57' ' ' VAL . 19.3 mt -84.46 141.42 30.81 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.544 0.791 . . . . 0.0 109.284 -179.963 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 32.8 mt-10 -138.91 170.17 16.46 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.549 1.156 . . . . 0.0 110.277 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 68.5 mt -60.23 131.64 25.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.489 1.118 . . . . 0.0 109.282 179.969 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 111.87 -25.33 13.2 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.515 1.134 . . . . 0.0 110.967 179.962 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 63' ' ' ASP . . . . . 0.9 ' CG ' HD13 ' A' ' 95' ' ' ILE . 61.3 m-20 -62.24 97.12 0.08 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.516 0.774 . . . . 0.0 109.266 -179.963 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 64' ' ' GLN . . . . . 0.569 ' HB2' ' CD2' ' A' ' 44' ' ' PHE . 38.0 tt0 -83.2 118.97 23.98 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.51 1.132 . . . . 0.0 110.337 179.957 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 65' ' ' ILE . . . . . 0.73 HG23 HG23 ' A' ' 93' ' ' ILE . 22.8 mt -68.19 107.09 1.15 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.521 1.138 . . . . 0.0 109.276 -179.973 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 66' ' ' VAL . . . . . 0.764 HG22 ' O ' ' A' ' 94' ' ' SER . 17.6 m -98.11 -21.41 5.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.544 1.153 . . . . 0.0 109.308 179.952 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 67' ' ' GLU . . . . . 0.428 ' HG2' ' N ' ' A' ' 68' ' ' VAL . 36.5 tt0 -153.56 153.1 31.75 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.506 1.129 . . . . 0.0 110.269 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 68' ' ' VAL . . . . . 0.598 ' CG2' ' CG2' ' A' ' 65' ' ' ILE . 97.1 t -151.2 111.82 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.468 1.105 . . . . 0.0 109.325 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 69' ' ' ASN . . . . . 0.933 ' ND2' HD23 ' A' ' 91' ' ' LEU . 1.0 OUTLIER 59.75 17.56 6.48 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.478 1.111 . . . . 0.0 109.342 -179.995 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 101.05 -0.5 54.84 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.561 1.163 . . . . 0.0 111.029 -179.981 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 71' ' ' VAL . . . . . 0.586 HG23 ' O ' ' A' ' 68' ' ' VAL . 60.1 t -75.34 154.5 6.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.519 0.776 . . . . 0.0 109.311 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 6.5 t0 -91.18 90.96 8.02 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.526 1.141 . . . . 0.0 109.304 -179.971 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 73' ' ' PHE . . . . . 0.928 ' CD1' HD12 ' A' ' 76' ' ' LEU . 4.2 m-85 -94.28 21.66 6.77 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.443 1.089 . . . . 0.0 111.002 -179.979 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -69.94 -38.52 76.2 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.51 1.131 . . . . 0.0 109.982 179.995 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 28.7 m-20 -139.61 52.53 1.72 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.502 1.126 . . . . 0.0 109.295 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 76' ' ' LEU . . . . . 0.928 HD12 ' CD1' ' A' ' 73' ' ' PHE . 6.1 mt -87.48 -166.12 1.49 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.563 1.165 . . . . 0.0 109.297 -179.966 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 25.1 t70 -132.66 169.52 16.53 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.511 1.132 . . . . 0.0 109.326 179.985 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 78' ' ' HIS . . . . . . . . . . . . . 54.2 t-80 -70.6 -7.13 41.87 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.496 1.122 . . . . 0.0 109.581 -179.959 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 1.3 mtpp -108.71 -36.32 6.19 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.493 1.121 . . . . 0.0 109.3 -179.962 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 80' ' ' GLU . . . . . 0.71 ' CB ' HD22 ' A' ' 76' ' ' LEU . 4.3 mm-40 -79.53 -35.94 39.17 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.484 1.115 . . . . 0.0 110.279 -179.987 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 81' ' ' ALA . . . . . 0.469 ' HA ' HD13 ' A' ' 76' ' ' LEU . . . -73.62 -34.26 64.95 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.518 1.136 . . . . 0.0 109.306 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 82' ' ' VAL . . . . . 0.472 ' O ' ' N ' ' A' ' 85' ' ' LEU . 20.5 t -74.87 -57.75 5.91 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.531 1.144 . . . . 0.0 109.267 -179.958 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 11.1 t30 -48.07 -44.73 31.73 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.501 1.126 . . . . 0.0 109.304 -180.0 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 84' ' ' VAL . . . . . 0.718 HG11 ' HE1' ' A' ' 73' ' ' PHE . 46.9 t -63.27 -27.45 43.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.513 1.133 . . . . 0.0 109.279 -179.98 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 85' ' ' LEU . . . . . 0.574 ' HA ' HD13 ' A' ' 91' ' ' LEU . 36.3 mt -81.95 -34.57 29.73 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.473 1.108 . . . . 0.0 109.3 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 86' ' ' LYS . . . . . 0.463 ' O ' ' C ' ' A' ' 87' ' ' SER . 0.0 OUTLIER -78.64 -34.03 46.81 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.457 1.098 . . . . 0.0 109.318 179.997 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 87' ' ' SER . . . . . 0.463 ' C ' ' O ' ' A' ' 86' ' ' LYS . 34.1 t -34.77 -68.66 0.11 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.519 1.137 . . . . 0.0 109.972 -179.971 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 88' ' ' SER . . . . . 0.607 ' O ' HD11 ' A' ' 91' ' ' LEU . 0.3 OUTLIER -115.6 165.4 13.06 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.48 1.112 . . . . 0.0 109.999 -179.987 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 89' ' ' ARG . . . . . 0.489 ' CA ' ' HB2' ' A' ' 23' ' ' LEU . 0.6 OUTLIER -79.27 -64.44 1.19 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.416 1.073 . . . . 0.0 110.351 179.954 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -80.34 112.58 17.81 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.523 1.139 . . . . 0.0 109.976 179.984 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 91' ' ' LEU . . . . . 0.933 HD23 ' ND2' ' A' ' 69' ' ' ASN . 1.4 mt -129.93 144.33 51.27 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.492 1.12 . . . . 0.0 109.267 179.953 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 92' ' ' THR . . . . . 0.501 ' OG1' ' CZ ' ' A' ' 20' ' ' PHE . 33.6 m -100.25 101.66 12.73 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.495 1.122 . . . . 0.0 110.426 179.973 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 93' ' ' ILE . . . . . 0.752 ' O ' HG22 ' A' ' 19' ' ' VAL . 25.8 mt -89.3 141.26 14.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.457 1.098 . . . . 0.0 109.299 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 94' ' ' SER . . . . . 0.764 ' O ' HG22 ' A' ' 66' ' ' VAL . 0.3 OUTLIER -122.96 109.86 14.65 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.482 1.114 . . . . 0.0 110.011 -179.971 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 95' ' ' ILE . . . . . 1.022 HD11 ' CE ' ' A' ' 17' ' ' LYS . 1.1 pt -108.74 170.42 2.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.466 1.104 . . . . 0.0 109.339 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 96' ' ' VAL . . . . . 0.808 ' HB ' ' HB2' ' A' ' 99' ' ' ALA . 84.2 t -107.16 31.17 0.89 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.509 1.131 . . . . 0.0 109.243 -179.982 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 97' ' ' ALA . . . . . 0.607 ' H ' HD12 ' A' ' 95' ' ' ILE . . . 44.19 92.99 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.505 1.128 . . . . 0.0 109.277 179.95 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 98' ' ' ALA . . . . . 0.654 ' HB1' ' HG3' ' A' ' 101' ' ' ARG . . . 55.96 52.9 9.88 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.57 1.169 . . . . 0.0 109.285 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 99' ' ' ALA . . . . . 0.808 ' HB2' ' HB ' ' A' ' 96' ' ' VAL . . . -58.25 -71.59 0.11 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.508 1.13 . . . . 0.0 109.305 179.976 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . -103.5 57.53 0.55 Allowed Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.532 1.145 . . . . 0.0 111.005 -179.997 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 101' ' ' ARG . . . . . 0.654 ' HG3' ' HB1' ' A' ' 98' ' ' ALA . 0.0 OUTLIER -63.78 -29.15 70.39 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.481 0.754 . . . . 0.0 110.266 -179.976 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 1.3 pt-20 -62.27 -20.47 64.31 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.503 1.127 . . . . 0.0 110.325 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 103' ' ' LEU . . . . . 0.638 HD12 ' CD2' ' A' ' 44' ' ' PHE . 32.4 mt -66.7 -16.51 64.28 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.497 1.123 . . . . 0.0 109.317 179.976 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 104' ' ' PHE . . . . . 0.431 ' CZ ' ' O ' ' A' ' 45' ' ' ILE . 14.9 m-85 -136.28 49.66 2.09 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.505 1.128 . . . . 0.0 110.983 179.989 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 105' ' ' MET . . . . . . . . . . . . . 0.4 OUTLIER -95.72 51.8 1.3 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.513 1.133 . . . . 0.0 111.026 179.967 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 8.9 t -157.78 139.27 13.72 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.479 1.112 . . . . 0.0 110.41 -179.963 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 25.2 t70 -113.47 159.48 19.48 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.523 1.139 . . . . 0.0 109.288 -179.974 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -167.19 136.91 2.87 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.499 1.125 . . . . 0.0 110.282 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 48.9 m -64.25 171.9 2.79 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.495 1.122 . . . . 0.0 109.996 -179.985 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . -164.88 157.76 30.31 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.501 1.126 . . . . 0.0 111.004 179.99 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 111' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 -178.52 4.22 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.488 1.783 . . . . 0.0 111.03 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 73.0 m -166.03 117.04 1.03 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.535 1.147 . . . . 0.0 109.984 179.976 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -94.4 136.61 34.51 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.444 1.09 . . . . 0.0 109.997 179.977 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.01 0 O-C-N 124.533 1.146 . . . . 0.0 111.013 179.996 . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.009 0 N-CA-C 110.992 -0.843 . . . . 0.0 110.992 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -116.78 166.14 12.49 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.461 0.742 . . . . 0.0 110.03 -179.965 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -158.86 156.51 29.76 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.515 1.134 . . . . 0.0 110.047 179.972 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -168.2 172.41 42.8 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.488 1.117 . . . . 0.0 111.003 -179.979 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -178.15 114.3 0.08 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.541 0.789 . . . . 0.0 109.977 -179.97 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 4.7 t -105.75 -19.56 13.72 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.457 1.098 . . . . 0.0 110.003 179.993 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 100.61 179.48 29.48 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.507 1.13 . . . . 0.0 110.997 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 8' ' ' SER . . . . . 0.401 ' HA ' ' HD3' ' A' ' 9' ' ' PRO . 0.3 OUTLIER -135.5 132.57 19.86 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.516 0.774 . . . . 0.0 109.982 -179.983 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 9' ' ' PRO . . . . . 0.401 ' HD3' ' HA ' ' A' ' 8' ' ' SER . 18.3 Cg_endo -74.98 179.92 5.61 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.479 1.779 . . . . 0.0 111.013 -179.978 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -140.6 87.19 0.19 Allowed Glycine 0 CA--C 1.531 1.06 0 O-C-N 124.479 1.112 . . . . 0.0 110.981 -179.957 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 16.4 p-10 -177.86 160.36 1.48 Allowed 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.574 0.808 . . . . 0.0 109.306 -179.992 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -116.32 76.17 1.01 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.55 1.156 . . . . 0.0 110.307 179.994 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -162.37 158.16 23.64 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.462 1.102 . . . . 0.0 110.357 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 1.2 m-20 -119.91 88.31 2.91 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.529 1.143 . . . . 0.0 109.299 -179.984 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 5.0 mmtp -122.01 171.06 9.23 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.49 1.119 . . . . 0.0 109.31 179.945 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 16' ' ' GLU . . . . . 0.453 ' HG3' HG22 ' A' ' 96' ' ' VAL . 14.3 mt-10 41.51 88.58 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.472 1.108 . . . . 0.0 110.265 179.954 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -109.17 141.3 41.6 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.495 1.122 . . . . 0.0 109.323 179.941 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 18' ' ' LYS . . . . . 0.646 ' HD3' HG23 ' A' ' 92' ' ' THR . 1.4 ttmm -97.24 112.25 24.14 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.533 1.146 . . . . 0.0 109.267 -179.986 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 19' ' ' VAL . . . . . 0.493 HG21 HD21 ' A' ' 59' ' ' LEU . 0.2 OUTLIER -115.22 116.68 53.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.475 1.109 . . . . 0.0 109.293 179.99 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 20' ' ' PHE . . . . . 0.594 ' CD1' ' O ' ' A' ' 91' ' ' LEU . 0.3 OUTLIER -94.56 117.65 30.45 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.503 1.127 . . . . 0.0 110.981 -179.998 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 21' ' ' ILE . . . . . 0.566 ' CG1' HD12 ' A' ' 93' ' ' ILE . 27.9 mm -95.06 102.06 13.17 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.468 1.105 . . . . 0.0 109.358 179.949 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 68.5 m -89.79 112.54 23.88 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.486 1.116 . . . . 0.0 109.948 -179.947 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.691 HD21 ' HA2' ' A' ' 28' ' ' GLY . 0.1 OUTLIER -90.0 72.98 7.39 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.49 1.119 . . . . 0.0 109.288 179.976 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 24' ' ' VAL . . . . . 0.52 HG23 ' O ' ' A' ' 24' ' ' VAL . 4.9 m -131.54 113.8 23.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.551 1.157 . . . . 0.0 109.314 179.966 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 128.87 -101.27 0.54 Allowed Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.527 1.142 . . . . 0.0 110.988 179.995 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 29.6 p -156.73 67.71 0.56 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.483 0.755 . . . . 0.0 110.026 -179.961 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -161.3 126.52 3.63 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.481 1.113 . . . . 0.0 110.269 -179.981 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 28' ' ' GLY . . . . . 0.691 ' HA2' HD21 ' A' ' 23' ' ' LEU . . . -121.55 55.25 0.66 Allowed Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.516 1.135 . . . . 0.0 110.983 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 29' ' ' LEU . . . . . 0.497 ' CD2' ' SG ' ' A' ' 31' ' ' CYS . 0.6 OUTLIER 65.28 112.9 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.443 0.731 . . . . 0.0 109.338 -179.978 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -104.07 42.47 1.89 Allowed Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.528 1.143 . . . . 0.0 111.024 -179.983 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 31' ' ' CYS . . . . . 0.497 ' SG ' ' CD2' ' A' ' 29' ' ' LEU . 27.7 p -136.58 143.79 43.8 Favored 'General case' 0 C--N 1.325 -0.483 0 N-CA-C 108.295 -1.002 . . . . 0.0 108.295 179.994 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -89.41 138.74 31.18 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.538 1.149 . . . . 0.0 110.025 179.994 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 33' ' ' ILE . . . . . 0.491 HD11 ' CG2' ' A' ' 82' ' ' VAL . 14.3 pt -119.01 143.04 31.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.475 1.11 . . . . 0.0 109.341 -179.997 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -136.31 168.97 18.41 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.499 1.124 . . . . 0.0 110.036 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -100.49 152.12 20.76 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.572 1.17 . . . . 0.0 110.002 -179.966 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -94.16 175.54 35.02 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.512 1.133 . . . . 0.0 111.003 179.988 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 -172.0 1.13 Allowed 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.5 1.79 . . . . 0.0 111.021 179.978 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 0.7 OUTLIER -72.92 -30.13 31.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.457 1.098 . . . . 0.0 109.3 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 7.6 pt20 -77.6 -30.75 52.59 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.498 1.124 . . . . 0.0 110.334 179.965 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 40' ' ' LYS . . . . . 0.646 ' HG2' HD11 ' A' ' 103' ' ' LEU . 2.5 tttt -136.6 61.86 39.24 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.543 1.152 . . . . 0.0 109.266 180.0 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 41' ' ' PRO . . . . . 0.465 ' HD3' ' N ' ' A' ' 40' ' ' LYS . 18.1 Cg_endo -75.04 145.98 31.96 Favored 'Trans proline' 0 C--N 1.361 1.191 0 O-C-N 124.517 1.798 . . . . 0.0 111.008 179.986 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 152.39 -157.93 27.55 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.5 1.125 . . . . 0.0 110.996 -179.982 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 43' ' ' ILE . . . . . 0.526 HG22 HD12 ' A' ' 65' ' ' ILE . 7.9 mm -121.88 117.8 53.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.497 0.763 . . . . 0.0 109.301 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 44' ' ' PHE . . . . . 0.565 ' CD2' ' HB2' ' A' ' 64' ' ' GLN . 2.2 m-85 -127.89 140.86 51.76 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.479 1.112 . . . . 0.0 110.989 -179.95 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 45' ' ' ILE . . . . . 0.548 ' O ' ' CZ ' ' A' ' 104' ' ' PHE . 8.9 mt -66.93 152.55 9.53 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.472 1.107 . . . . 0.0 109.302 179.969 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -117.59 -38.64 3.26 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.442 1.089 . . . . 0.0 110.002 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 44.3 t-80 -151.66 159.82 43.87 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.427 1.079 . . . . 0.0 109.563 -179.971 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 65.2 t -141.0 131.06 26.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.522 1.139 . . . . 0.0 109.273 -179.974 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -75.81 155.78 84.85 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.511 1.132 . . . . 0.0 109.296 180.0 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 111.57 3.36 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.555 1.818 . . . . 0.0 110.997 -179.996 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 74.23 45.08 26.46 Favored Glycine 0 CA--C 1.529 0.95 0 O-C-N 124.477 1.11 . . . . 0.0 110.996 -179.979 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 28.5 p -93.71 -166.5 1.52 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.447 0.734 . . . . 0.0 109.973 -179.976 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 53' ' ' LEU . . . . . 0.47 HD12 ' CD ' ' A' ' 56' ' ' GLU . 19.0 tp -79.43 -13.71 59.41 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.503 1.127 . . . . 0.0 109.319 179.976 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 54' ' ' SER . . . . . 0.894 ' O ' HG22 ' A' ' 57' ' ' VAL . 0.0 OUTLIER -95.75 -42.13 8.51 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.574 1.172 . . . . 0.0 110.027 179.99 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 55' ' ' ALA . . . . . 0.434 ' O ' ' N ' ' A' ' 58' ' ' GLY . . . -65.22 -43.06 92.7 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.495 1.122 . . . . 0.0 109.33 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 56' ' ' GLU . . . . . 0.649 ' HG3' HG13 ' A' ' 57' ' ' VAL . 7.0 pt-20 -46.79 -35.33 6.12 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.474 1.109 . . . . 0.0 110.327 179.967 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 57' ' ' VAL . . . . . 0.894 HG22 ' O ' ' A' ' 54' ' ' SER . 7.2 m -88.38 -26.1 5.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.519 1.137 . . . . 0.0 109.307 179.976 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 58' ' ' GLY . . . . . 0.434 ' N ' ' O ' ' A' ' 55' ' ' ALA . . . 106.84 38.6 2.16 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.457 1.098 . . . . 0.0 110.969 179.989 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 59' ' ' LEU . . . . . 0.493 HD21 HG21 ' A' ' 19' ' ' VAL . 17.8 mt -87.85 137.34 32.42 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.493 0.761 . . . . 0.0 109.313 179.958 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -136.9 173.2 11.95 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.518 1.136 . . . . 0.0 110.292 179.969 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 21.3 mt -62.44 134.92 27.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.516 1.135 . . . . 0.0 109.333 179.988 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 109.74 -34.89 5.2 Favored Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.498 1.124 . . . . 0.0 111.042 -179.937 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 63' ' ' ASP . . . . . 0.561 ' HB3' HD13 ' A' ' 95' ' ' ILE . 52.7 m-20 -50.8 96.71 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.482 0.754 . . . . 0.0 109.286 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 64' ' ' GLN . . . . . 0.565 ' HB2' ' CD2' ' A' ' 44' ' ' PHE . 42.3 tt0 -83.02 130.23 35.12 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.496 1.122 . . . . 0.0 110.311 179.978 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 65' ' ' ILE . . . . . 0.604 ' CG2' ' CG2' ' A' ' 68' ' ' VAL . 5.5 mt -82.28 108.16 14.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.493 1.121 . . . . 0.0 109.293 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 66' ' ' VAL . . . . . 0.925 HG22 ' O ' ' A' ' 94' ' ' SER . 14.4 m -97.16 -21.91 5.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.489 1.118 . . . . 0.0 109.283 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 67' ' ' GLU . . . . . 0.433 ' HG2' ' N ' ' A' ' 68' ' ' VAL . 42.0 tt0 -153.96 152.49 30.62 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.479 1.112 . . . . 0.0 110.3 179.998 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 68' ' ' VAL . . . . . 0.758 ' O ' HG23 ' A' ' 71' ' ' VAL . 59.8 t -148.89 120.92 1.42 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.493 1.121 . . . . 0.0 109.327 179.979 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 69' ' ' ASN . . . . . 0.419 ' ND2' HD23 ' A' ' 91' ' ' LEU . 1.1 t-20 49.26 27.23 1.79 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.448 1.093 . . . . 0.0 109.294 -179.988 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 84.94 27.09 35.3 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.484 1.115 . . . . 0.0 111.039 179.998 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 71' ' ' VAL . . . . . 0.758 HG23 ' O ' ' A' ' 68' ' ' VAL . 60.5 t -102.69 154.22 5.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.492 0.76 . . . . 0.0 109.317 -179.982 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 2.6 t0 -85.95 89.52 7.81 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.496 1.122 . . . . 0.0 109.292 -179.943 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 73' ' ' PHE . . . . . 0.957 ' CD1' HD12 ' A' ' 76' ' ' LEU . 4.3 m-85 -97.62 23.77 7.43 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.489 1.118 . . . . 0.0 110.997 -179.95 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -76.82 -27.17 55.07 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.555 1.159 . . . . 0.0 110.037 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 58.1 m-80 -147.54 49.58 1.08 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.487 1.117 . . . . 0.0 109.32 -179.965 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 76' ' ' LEU . . . . . 0.957 HD12 ' CD1' ' A' ' 73' ' ' PHE . 6.3 mt -88.17 -166.92 1.72 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.488 1.117 . . . . 0.0 109.298 -179.975 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 34.5 t70 -132.93 170.24 15.62 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.495 1.122 . . . . 0.0 109.303 179.985 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 78' ' ' HIS . . . . . . . . . . . . . 61.1 t-80 -70.76 -6.91 41.09 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.458 1.099 . . . . 0.0 109.627 179.973 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -108.52 -39.18 5.48 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.522 1.139 . . . . 0.0 109.294 -179.968 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 80' ' ' GLU . . . . . 0.709 ' CB ' HD22 ' A' ' 76' ' ' LEU . 1.8 mt-10 -75.52 -36.83 60.45 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.463 1.102 . . . . 0.0 110.336 179.994 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 81' ' ' ALA . . . . . 0.442 ' HA ' HD13 ' A' ' 76' ' ' LEU . . . -72.03 -41.23 67.74 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.546 1.154 . . . . 0.0 109.281 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 82' ' ' VAL . . . . . 0.565 HG12 ' HD2' ' A' ' 86' ' ' LYS . 41.9 t -69.44 -40.08 79.44 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.521 1.138 . . . . 0.0 109.287 -179.966 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 83' ' ' ASN . . . . . 0.458 ' HA ' ' CD ' ' A' ' 86' ' ' LYS . 9.5 t30 -60.15 -49.74 76.44 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.535 1.147 . . . . 0.0 109.306 -179.985 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 84' ' ' VAL . . . . . 0.694 HG11 HG21 ' A' ' 71' ' ' VAL . 64.3 t -67.78 -21.08 26.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.48 1.113 . . . . 0.0 109.319 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 32.9 mt -87.16 -26.57 23.52 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.493 1.121 . . . . 0.0 109.296 -179.994 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 86' ' ' LYS . . . . . 0.565 ' HD2' HG12 ' A' ' 82' ' ' VAL . 0.0 OUTLIER -102.38 -1.01 31.72 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.521 1.138 . . . . 0.0 109.343 179.964 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 87' ' ' SER . . . . . 0.452 ' N ' ' O ' ' A' ' 83' ' ' ASN . 19.5 m -84.0 7.42 18.52 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.474 1.109 . . . . 0.0 109.977 179.988 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -177.44 163.48 1.99 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.498 1.124 . . . . 0.0 110.002 -179.945 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 89' ' ' ARG . . . . . 0.469 ' CA ' ' HB2' ' A' ' 23' ' ' LEU . 18.8 mmt85 -89.05 -65.91 0.97 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.493 1.121 . . . . 0.0 110.316 179.983 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -80.75 108.14 14.16 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.518 1.136 . . . . 0.0 109.95 -179.982 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 91' ' ' LEU . . . . . 0.594 ' O ' ' CD1' ' A' ' 20' ' ' PHE . 0.9 OUTLIER -122.15 160.12 25.78 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.475 1.109 . . . . 0.0 109.313 179.99 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 92' ' ' THR . . . . . 0.646 HG23 ' HD3' ' A' ' 18' ' ' LYS . 31.1 m -115.64 98.54 6.76 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.507 1.129 . . . . 0.0 110.415 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 93' ' ' ILE . . . . . 0.566 HD12 ' CG1' ' A' ' 21' ' ' ILE . 15.6 mt -87.89 133.94 29.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.474 1.109 . . . . 0.0 109.33 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 94' ' ' SER . . . . . 0.925 ' O ' HG22 ' A' ' 66' ' ' VAL . 0.3 OUTLIER -118.71 96.57 5.33 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.498 1.124 . . . . 0.0 110.026 179.991 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 95' ' ' ILE . . . . . 0.561 HD13 ' HB3' ' A' ' 63' ' ' ASP . 1.7 pt -99.7 169.38 1.63 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.493 1.12 . . . . 0.0 109.305 179.983 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 96' ' ' VAL . . . . . 0.775 ' HB ' ' HB2' ' A' ' 99' ' ' ALA . 74.7 t -107.57 31.32 0.91 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.542 1.151 . . . . 0.0 109.314 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 97' ' ' ALA . . . . . 0.408 ' O ' ' O ' ' A' ' 96' ' ' VAL . . . 46.73 95.03 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.506 1.129 . . . . 0.0 109.316 179.994 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 98' ' ' ALA . . . . . 0.52 ' HB1' ' HG3' ' A' ' 101' ' ' ARG . . . 51.49 55.1 9.91 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.463 1.102 . . . . 0.0 109.295 179.989 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 99' ' ' ALA . . . . . 0.775 ' HB2' ' HB ' ' A' ' 96' ' ' VAL . . . -60.76 -70.55 0.17 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.472 1.108 . . . . 0.0 109.271 -179.979 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . -101.43 58.45 0.65 Allowed Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.483 1.114 . . . . 0.0 110.988 -179.981 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 101' ' ' ARG . . . . . 0.52 ' HG3' ' HB1' ' A' ' 98' ' ' ALA . 0.0 OUTLIER -70.35 -25.22 63.18 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.481 0.754 . . . . 0.0 110.314 179.983 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 8.9 pt-20 -70.71 -36.42 73.22 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.532 1.145 . . . . 0.0 110.343 179.986 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 103' ' ' LEU . . . . . 0.646 HD11 ' HG2' ' A' ' 40' ' ' LYS . 47.3 mt -40.36 -46.3 2.33 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.529 1.143 . . . . 0.0 109.337 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 104' ' ' PHE . . . . . 0.548 ' CZ ' ' O ' ' A' ' 45' ' ' ILE . 27.6 m-85 -97.63 -52.88 3.61 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.51 1.131 . . . . 0.0 110.998 179.981 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 105' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER 59.99 83.92 0.13 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.464 1.102 . . . . 0.0 110.998 179.989 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 17.7 m 63.45 121.96 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.454 1.096 . . . . 0.0 110.45 -179.973 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -148.82 159.99 43.64 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.505 1.128 . . . . 0.0 109.283 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -166.56 124.35 1.37 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.505 1.128 . . . . 0.0 110.325 -179.956 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 1.9 t -129.63 138.15 51.06 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.471 1.107 . . . . 0.0 110.018 -179.988 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . -60.63 112.03 4.23 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.473 1.108 . . . . 0.0 111.043 179.984 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 111' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 -48.03 0.18 Allowed 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.492 1.785 . . . . 0.0 110.962 -179.927 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 13.2 p -41.54 123.12 2.11 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.523 1.139 . . . . 0.0 110.01 179.998 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 1.1 t -174.82 109.65 0.12 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.48 1.112 . . . . 0.0 109.981 179.995 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.995 0 O-C-N 124.515 1.135 . . . . 0.0 110.964 -179.978 . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.994 0 N-CA-C 110.972 -0.851 . . . . 0.0 110.972 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -118.1 87.24 2.68 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.505 0.768 . . . . 0.0 110.065 179.956 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 26.3 p -76.04 148.46 37.99 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.541 1.151 . . . . 0.0 109.996 -179.953 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 164.24 145.58 4.44 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.51 1.131 . . . . 0.0 110.991 179.983 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 2.5 t 62.47 112.75 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.498 0.763 . . . . 0.0 110.02 -179.957 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 12.0 p -105.6 24.95 11.39 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.54 1.15 . . . . 0.0 110.04 179.971 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 74.1 -170.66 53.09 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.509 1.13 . . . . 0.0 111.015 179.994 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 95.1 p -134.97 144.44 50.36 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.527 0.781 . . . . 0.0 110.009 179.96 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 136.7 20.68 Favored 'Trans proline' 0 C--N 1.359 1.121 0 O-C-N 124.497 1.788 . . . . 0.0 110.982 179.981 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -119.29 -178.19 16.55 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.482 1.114 . . . . 0.0 110.994 -179.983 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 1.3 t-20 -152.72 136.35 16.07 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.524 0.779 . . . . 0.0 109.267 179.986 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 45.9 mtt180 -70.73 104.8 2.97 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.528 1.142 . . . . 0.0 110.293 179.984 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -153.59 -61.05 0.14 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.458 1.099 . . . . 0.0 110.298 179.968 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 3.4 m-20 -126.17 168.19 14.38 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.507 1.13 . . . . 0.0 109.333 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 15' ' ' LYS . . . . . 0.428 ' O ' ' C ' ' A' ' 96' ' ' VAL . 0.0 OUTLIER -95.32 110.82 22.78 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.512 1.133 . . . . 0.0 109.294 -179.97 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 16' ' ' GLU . . . . . 0.447 ' HG2' HG22 ' A' ' 96' ' ' VAL . 0.8 OUTLIER -115.67 145.47 42.71 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.539 1.149 . . . . 0.0 110.325 179.984 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 17' ' ' LYS . . . . . 0.591 ' CE ' HD11 ' A' ' 95' ' ' ILE . 0.1 OUTLIER -138.54 140.12 38.96 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.526 1.141 . . . . 0.0 109.325 -179.988 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 18' ' ' LYS . . . . . 0.445 ' CG ' HG23 ' A' ' 92' ' ' THR . 1.0 OUTLIER -96.37 117.52 31.01 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.457 1.098 . . . . 0.0 109.285 179.995 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 19' ' ' VAL . . . . . 0.487 HG23 ' HB ' ' A' ' 93' ' ' ILE . 0.3 OUTLIER -118.87 116.89 52.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.54 1.15 . . . . 0.0 109.284 179.997 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -94.93 108.44 20.49 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.521 1.138 . . . . 0.0 111.023 179.974 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 21' ' ' ILE . . . . . 0.401 ' O ' ' O ' ' A' ' 89' ' ' ARG . 24.1 mm -95.27 112.18 27.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.516 1.135 . . . . 0.0 109.262 -179.967 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 22' ' ' SER . . . . . 0.598 ' O ' HD21 ' A' ' 53' ' ' LEU . 8.3 p -111.55 122.24 47.3 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.519 1.137 . . . . 0.0 109.972 179.995 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 3.8 mp -101.75 76.49 1.65 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.525 1.141 . . . . 0.0 109.258 -180.0 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 4.5 m -117.01 144.21 25.33 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.482 1.114 . . . . 0.0 109.327 179.966 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 38.25 -127.39 1.67 Allowed Glycine 0 CA--C 1.529 0.957 0 O-C-N 124.477 1.11 . . . . 0.0 111.053 -179.966 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 74.9 p -56.19 -165.46 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.467 0.746 . . . . 0.0 110.062 179.951 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER 59.63 174.95 0.08 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.483 1.114 . . . . 0.0 110.301 -180.0 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 28' ' ' GLY . . . . . 0.403 ' O ' ' C ' ' A' ' 29' ' ' LEU . . . 165.15 131.81 1.29 Allowed Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.504 1.128 . . . . 0.0 110.984 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 29' ' ' LEU . . . . . 0.403 ' C ' ' O ' ' A' ' 28' ' ' GLY . 0.6 OUTLIER -40.2 129.15 2.29 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.48 0.753 . . . . 0.0 109.281 179.992 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -129.59 29.09 3.87 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.547 1.154 . . . . 0.0 111.013 179.983 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 13.0 p -117.51 139.52 50.82 Favored 'General case' 0 C--N 1.324 -0.506 0 N-CA-C 108.298 -1.001 . . . . 0.0 108.298 -179.977 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -94.61 139.66 30.9 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.546 1.154 . . . . 0.0 110.043 180.0 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 33' ' ' ILE . . . . . 0.745 HD11 ' CG2' ' A' ' 82' ' ' VAL . 6.3 pt -115.65 147.92 18.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.477 1.111 . . . . 0.0 109.298 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -136.52 170.07 16.65 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.471 1.107 . . . . 0.0 110.031 179.978 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 79.2 p -97.59 135.39 39.48 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.45 1.094 . . . . 0.0 109.986 -179.997 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -81.57 168.43 49.77 Favored Glycine 0 CA--C 1.531 1.049 0 O-C-N 124.494 1.121 . . . . 0.0 110.972 -179.966 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 -169.52 0.64 Allowed 'Trans proline' 0 C--N 1.359 1.128 0 O-C-N 124.565 1.824 . . . . 0.0 110.989 -179.985 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 5.4 tt -75.62 -29.99 21.27 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.504 1.128 . . . . 0.0 109.275 -179.992 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 1.9 pt20 -78.8 -27.71 44.46 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.448 1.092 . . . . 0.0 110.317 179.995 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 40' ' ' LYS . . . . . 0.886 ' HG2' HD11 ' A' ' 103' ' ' LEU . 0.0 OUTLIER -137.73 62.16 33.49 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.521 1.138 . . . . 0.0 109.322 -179.983 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 41' ' ' PRO . . . . . 0.461 ' HD3' ' N ' ' A' ' 40' ' ' LYS . 18.3 Cg_endo -74.99 145.35 31.39 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.499 1.789 . . . . 0.0 111.026 179.992 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 145.18 -158.83 27.76 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.468 1.105 . . . . 0.0 111.004 -179.999 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 27.0 mm -117.61 117.9 56.63 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.542 0.789 . . . . 0.0 109.289 179.975 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 44' ' ' PHE . . . . . 0.574 ' CD2' ' HB2' ' A' ' 64' ' ' GLN . 2.9 m-85 -128.76 135.04 48.65 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.548 1.155 . . . . 0.0 110.996 -179.988 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 45' ' ' ILE . . . . . 0.421 ' O ' ' CZ ' ' A' ' 104' ' ' PHE . 13.8 mt -62.87 138.18 23.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.527 1.142 . . . . 0.0 109.265 -179.949 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 51.1 p -104.77 -36.28 7.47 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.509 1.131 . . . . 0.0 110.005 -179.969 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 63.2 t-80 -150.67 163.17 39.19 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.539 1.149 . . . . 0.0 109.6 -179.988 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 77.4 t -146.14 120.71 2.77 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.479 1.112 . . . . 0.0 109.313 -179.989 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 18.9 mttp -67.67 156.39 89.08 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.489 1.118 . . . . 0.0 109.341 179.997 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.02 124.14 8.4 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.485 1.782 . . . . 0.0 111.017 -179.988 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 67.46 30.08 74.77 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.516 1.135 . . . . 0.0 111.009 -179.973 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 52' ' ' SER . . . . . 0.4 ' H ' ' HB3' ' A' ' 55' ' ' ALA . 9.4 p -78.75 -174.95 4.18 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.442 0.73 . . . . 0.0 109.982 -179.988 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 53' ' ' LEU . . . . . 0.598 HD21 ' O ' ' A' ' 22' ' ' SER . 12.4 tp -73.51 -19.59 60.88 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.552 1.157 . . . . 0.0 109.364 179.968 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 54' ' ' SER . . . . . 0.801 ' O ' HG22 ' A' ' 57' ' ' VAL . 0.0 OUTLIER -95.7 -36.3 11.25 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.513 1.133 . . . . 0.0 109.991 -179.999 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 55' ' ' ALA . . . . . 0.4 ' HB3' ' H ' ' A' ' 52' ' ' SER . . . -68.07 -33.23 74.15 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.479 1.112 . . . . 0.0 109.286 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 56' ' ' GLU . . . . . 0.564 ' CD ' HD12 ' A' ' 53' ' ' LEU . 4.6 pt-20 -61.73 -35.0 76.81 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.494 1.121 . . . . 0.0 110.309 -179.975 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 57' ' ' VAL . . . . . 0.801 HG22 ' O ' ' A' ' 54' ' ' SER . 17.8 m -83.37 -21.35 8.86 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.501 1.126 . . . . 0.0 109.312 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 100.58 36.79 3.93 Favored Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.536 1.148 . . . . 0.0 110.995 179.997 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 59' ' ' LEU . . . . . 0.539 ' HG ' HG23 ' A' ' 57' ' ' VAL . 19.7 mt -89.67 138.5 31.42 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.46 0.741 . . . . 0.0 109.265 -179.975 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 35.8 mt-10 -139.06 173.26 11.74 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.507 1.129 . . . . 0.0 110.338 179.977 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 44.2 mt -60.07 134.98 25.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.461 1.101 . . . . 0.0 109.303 -179.974 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 62' ' ' GLY . . . . . 0.464 ' HA3' ' CG ' ' A' ' 101' ' ' ARG . . . 112.6 -34.69 5.01 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.489 1.118 . . . . 0.0 111.029 -179.949 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 63' ' ' ASP . . . . . 0.599 ' HB3' HD13 ' A' ' 95' ' ' ILE . 85.2 m-20 -56.32 97.29 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.529 0.782 . . . . 0.0 109.303 179.981 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 64' ' ' GLN . . . . . 0.656 ' HB3' ' HB3' ' A' ' 99' ' ' ALA . 42.8 tt0 -83.28 131.9 35.06 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.505 1.128 . . . . 0.0 110.276 -179.995 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 65' ' ' ILE . . . . . 0.753 HG23 HG23 ' A' ' 93' ' ' ILE . 35.5 mt -85.52 111.28 20.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.518 1.136 . . . . 0.0 109.297 179.998 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 66' ' ' VAL . . . . . 0.678 HG22 ' O ' ' A' ' 94' ' ' SER . 15.4 m -99.61 -24.12 4.25 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.511 1.132 . . . . 0.0 109.312 179.976 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 67' ' ' GLU . . . . . 0.431 ' HA ' ' O ' ' A' ' 71' ' ' VAL . 29.0 tt0 -150.58 154.09 36.92 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.54 1.15 . . . . 0.0 110.294 179.985 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 68' ' ' VAL . . . . . 0.596 ' HB ' ' CE1' ' A' ' 73' ' ' PHE . 94.2 t -152.67 116.12 0.51 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.472 1.107 . . . . 0.0 109.321 -179.993 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 69' ' ' ASN . . . . . 0.896 ' ND2' HD23 ' A' ' 91' ' ' LEU . 1.0 OUTLIER 55.26 19.64 3.06 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.461 1.101 . . . . 0.0 109.275 -179.997 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 93.58 14.54 52.92 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.557 1.161 . . . . 0.0 110.983 179.929 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 71' ' ' VAL . . . . . 0.495 HG23 ' O ' ' A' ' 68' ' ' VAL . 90.3 t -91.84 141.07 15.06 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.475 0.75 . . . . 0.0 109.265 -179.954 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 1.1 t70 -76.13 86.3 2.99 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.509 1.131 . . . . 0.0 109.325 179.982 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 73' ' ' PHE . . . . . 0.734 ' CG ' HD12 ' A' ' 76' ' ' LEU . 3.7 m-85 -90.53 19.53 5.24 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.538 1.149 . . . . 0.0 111.003 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -74.03 -56.76 4.54 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.526 1.141 . . . . 0.0 109.951 -179.952 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 1.4 p-10 -114.13 45.99 1.41 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.464 1.103 . . . . 0.0 109.309 180.0 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 76' ' ' LEU . . . . . 0.8 HD22 ' HB2' ' A' ' 80' ' ' GLU . 4.5 mt -84.01 -165.49 1.15 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.529 1.143 . . . . 0.0 109.31 179.995 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 77' ' ' ASP . . . . . 0.403 ' OD2' ' N ' ' A' ' 79' ' ' LYS . 26.4 t70 -132.29 169.12 16.92 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.538 1.149 . . . . 0.0 109.255 -179.957 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 78' ' ' HIS . . . . . . . . . . . . . 51.4 t-80 -73.46 -7.43 51.73 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.536 1.148 . . . . 0.0 109.577 -179.963 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 79' ' ' LYS . . . . . 0.403 ' N ' ' OD2' ' A' ' 77' ' ' ASP . 9.6 mttm -109.38 -28.54 8.9 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.475 1.11 . . . . 0.0 109.308 179.978 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 80' ' ' GLU . . . . . 0.8 ' HB2' HD22 ' A' ' 76' ' ' LEU . 3.2 mm-40 -86.0 -36.01 20.03 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.478 1.111 . . . . 0.0 110.254 -179.98 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 81' ' ' ALA . . . . . 0.606 ' O ' HD12 ' A' ' 85' ' ' LEU . . . -73.8 -20.16 60.55 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.499 1.124 . . . . 0.0 109.32 -179.972 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 82' ' ' VAL . . . . . 0.745 ' CG2' HD11 ' A' ' 33' ' ' ILE . 3.7 t -91.06 -39.1 11.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.488 1.118 . . . . 0.0 109.266 -179.976 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 83' ' ' ASN . . . . . 0.452 ' HA ' ' CD ' ' A' ' 86' ' ' LYS . 1.7 m-20 -61.18 -41.75 97.35 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.52 1.137 . . . . 0.0 109.337 179.965 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 84' ' ' VAL . . . . . 0.457 HG11 ' HE1' ' A' ' 73' ' ' PHE . 72.4 t -73.86 -33.8 38.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.516 1.135 . . . . 0.0 109.29 -179.951 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 85' ' ' LEU . . . . . 0.606 HD12 ' O ' ' A' ' 81' ' ' ALA . 24.7 mt -74.26 -30.34 62.08 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.503 1.127 . . . . 0.0 109.308 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 86' ' ' LYS . . . . . 0.525 ' HD2' HG12 ' A' ' 82' ' ' VAL . 0.0 OUTLIER -97.92 -1.34 43.11 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.441 1.088 . . . . 0.0 109.257 -179.982 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 34.2 t -63.74 -62.29 1.75 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.537 1.148 . . . . 0.0 110.012 -179.992 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 88' ' ' SER . . . . . 0.558 ' O ' HD11 ' A' ' 91' ' ' LEU . 0.3 OUTLIER -120.79 178.34 4.74 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.518 1.136 . . . . 0.0 109.977 -179.974 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 89' ' ' ARG . . . . . 0.401 ' O ' ' O ' ' A' ' 21' ' ' ILE . 4.6 mmt180 -91.41 -58.17 2.53 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.487 1.117 . . . . 0.0 110.29 -179.972 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -81.48 109.75 16.24 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.549 1.156 . . . . 0.0 109.979 -179.971 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 91' ' ' LEU . . . . . 0.896 HD23 ' ND2' ' A' ' 69' ' ' ASN . 1.1 mt -137.26 143.59 42.29 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.517 1.136 . . . . 0.0 109.3 179.987 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 92' ' ' THR . . . . . 0.445 HG23 ' CG ' ' A' ' 18' ' ' LYS . 4.2 m -101.93 102.74 13.33 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.482 1.114 . . . . 0.0 110.435 179.966 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 93' ' ' ILE . . . . . 0.753 HG23 HG23 ' A' ' 65' ' ' ILE . 17.3 mt -89.2 135.14 26.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.514 1.134 . . . . 0.0 109.283 -179.981 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 94' ' ' SER . . . . . 0.678 ' O ' HG22 ' A' ' 66' ' ' VAL . 0.5 OUTLIER -117.0 106.13 13.07 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.542 1.152 . . . . 0.0 109.961 179.999 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 95' ' ' ILE . . . . . 0.599 HD13 ' HB3' ' A' ' 63' ' ' ASP . 2.2 pt -104.12 176.01 1.01 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.54 1.15 . . . . 0.0 109.308 179.966 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 96' ' ' VAL . . . . . 0.845 ' HB ' ' HB2' ' A' ' 99' ' ' ALA . 78.1 t -115.48 33.82 1.25 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.459 1.1 . . . . 0.0 109.309 -179.989 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 97' ' ' ALA . . . . . 0.415 ' O ' ' O ' ' A' ' 96' ' ' VAL . . . 46.04 95.3 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.485 1.116 . . . . 0.0 109.344 179.988 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 98' ' ' ALA . . . . . 0.562 ' HB1' ' HG3' ' A' ' 101' ' ' ARG . . . 45.88 58.54 4.29 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.51 1.131 . . . . 0.0 109.296 -179.98 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 99' ' ' ALA . . . . . 0.845 ' HB2' ' HB ' ' A' ' 96' ' ' VAL . . . -61.43 -67.08 0.44 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.544 1.153 . . . . 0.0 109.334 179.988 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . -104.96 58.28 0.48 Allowed Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.537 1.148 . . . . 0.0 111.007 179.973 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 101' ' ' ARG . . . . . 0.562 ' HG3' ' HB1' ' A' ' 98' ' ' ALA . 0.0 OUTLIER -72.03 -31.7 66.42 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.484 0.755 . . . . 0.0 110.303 179.995 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 5.5 pt-20 -58.12 -31.28 67.02 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.469 1.105 . . . . 0.0 110.268 -179.996 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 103' ' ' LEU . . . . . 0.886 HD11 ' HG2' ' A' ' 40' ' ' LYS . 43.1 mt -50.73 -45.04 58.44 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.521 1.138 . . . . 0.0 109.307 179.975 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 104' ' ' PHE . . . . . 0.421 ' CZ ' ' O ' ' A' ' 45' ' ' ILE . 41.9 m-85 -97.0 59.4 1.65 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.528 1.143 . . . . 0.0 111.044 179.966 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 105' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -97.9 91.13 5.19 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.502 1.126 . . . . 0.0 111.054 179.948 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 1.9 t -167.07 137.13 2.98 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.485 1.116 . . . . 0.0 110.369 -179.993 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -101.16 169.0 9.21 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.506 1.129 . . . . 0.0 109.292 179.979 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 1.4 ttt85 63.1 129.41 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.537 1.148 . . . . 0.0 110.229 179.964 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 14.2 p -159.63 138.84 11.1 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.507 1.129 . . . . 0.0 109.949 179.989 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . -135.26 95.59 0.26 Allowed Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.546 1.154 . . . . 0.0 110.966 -179.995 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 111' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.01 158.42 42.17 Favored 'Trans proline' 0 C--N 1.361 1.207 0 O-C-N 124.522 1.801 . . . . 0.0 111.013 179.95 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -144.08 131.15 20.56 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.493 1.121 . . . . 0.0 109.954 -179.99 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 7.1 t 56.84 -93.97 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.49 1.118 . . . . 0.0 110.033 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.977 0 O-C-N 124.519 1.137 . . . . 0.0 111.005 179.981 . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.964 0 N-CA-C 110.993 -0.843 . . . . 0.0 110.993 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 11.0 t -105.21 -58.82 1.84 Allowed 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.467 0.745 . . . . 0.0 109.959 -179.972 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 22.3 t -175.42 162.17 2.83 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.509 1.13 . . . . 0.0 110.01 179.989 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 140.12 96.59 0.32 Allowed Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.466 1.104 . . . . 0.0 111.029 -179.946 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -127.97 89.99 3.02 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.522 0.777 . . . . 0.0 109.962 -179.96 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -109.44 -26.84 9.77 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.511 1.132 . . . . 0.0 110.001 179.978 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 83.06 117.52 0.58 Allowed Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.491 1.12 . . . . 0.0 111.001 -179.991 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 8' ' ' SER . . . . . 0.403 ' HA ' ' HD3' ' A' ' 9' ' ' PRO . 33.1 m -89.41 140.34 28.46 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.476 0.751 . . . . 0.0 110.036 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 9' ' ' PRO . . . . . 0.403 ' HD3' ' HA ' ' A' ' 8' ' ' SER . 18.2 Cg_endo -74.98 -53.19 0.1 Allowed 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.464 1.771 . . . . 0.0 110.992 -179.947 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 122.28 152.77 8.71 Favored Glycine 0 CA--C 1.529 0.951 0 O-C-N 124.497 1.123 . . . . 0.0 111.019 -179.99 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 1.7 m-80 -161.63 127.95 3.78 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.472 0.748 . . . . 0.0 109.327 179.965 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -126.01 126.69 44.7 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.486 1.116 . . . . 0.0 110.327 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 2.0 mt-10 -164.85 144.62 7.15 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.53 1.143 . . . . 0.0 110.335 179.997 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 2.3 t-20 -98.31 -55.18 2.84 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.518 1.137 . . . . 0.0 109.285 -179.986 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.88 171.11 2.98 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.468 1.105 . . . . 0.0 109.269 -179.97 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 23.2 mt-10 49.41 91.19 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.509 1.131 . . . . 0.0 110.273 179.986 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 17' ' ' LYS . . . . . 0.609 ' CE ' HD11 ' A' ' 95' ' ' ILE . 0.1 OUTLIER -112.18 143.9 42.46 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.567 1.167 . . . . 0.0 109.251 -179.977 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 18' ' ' LYS . . . . . 0.525 ' HD3' HG23 ' A' ' 92' ' ' THR . 0.0 OUTLIER -95.97 120.31 36.02 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.505 1.128 . . . . 0.0 109.291 179.982 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 19' ' ' VAL . . . . . 0.48 HG23 ' O ' ' A' ' 93' ' ' ILE . 0.2 OUTLIER -121.21 135.93 59.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.522 1.139 . . . . 0.0 109.27 -179.979 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 0.9 OUTLIER -108.76 113.93 27.28 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.44 1.088 . . . . 0.0 111.017 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 21' ' ' ILE . . . . . 0.46 ' CG1' HD12 ' A' ' 93' ' ' ILE . 20.9 mm -104.64 102.1 13.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.489 1.118 . . . . 0.0 109.297 179.977 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 22' ' ' SER . . . . . 0.435 ' OG ' HG13 ' A' ' 24' ' ' VAL . 7.4 t -102.19 131.69 48.57 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.465 1.103 . . . . 0.0 110.007 -179.999 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.476 HD13 ' CD1' ' A' ' 53' ' ' LEU . 2.7 mm? -104.03 65.47 0.81 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.507 1.129 . . . . 0.0 109.35 179.984 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 24' ' ' VAL . . . . . 0.701 HG23 ' O ' ' A' ' 24' ' ' VAL . 13.8 m -95.76 69.47 0.51 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.463 1.102 . . . . 0.0 109.296 179.999 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 25' ' ' GLY . . . . . 0.43 ' O ' ' N ' ' A' ' 27' ' ' ARG . . . 45.55 -167.18 0.04 OUTLIER Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.479 1.112 . . . . 0.0 111.009 179.998 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 37.0 m 61.76 -82.04 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.535 0.786 . . . . 0.0 109.967 -179.975 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 27' ' ' ARG . . . . . 0.43 ' N ' ' O ' ' A' ' 25' ' ' GLY . 0.7 OUTLIER -86.58 157.6 19.69 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.474 1.109 . . . . 0.0 110.283 -179.969 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 28' ' ' GLY . . . . . 0.404 ' O ' ' C ' ' A' ' 29' ' ' LEU . . . -147.4 133.21 4.62 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.448 1.092 . . . . 0.0 110.991 179.978 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 29' ' ' LEU . . . . . 0.404 ' C ' ' O ' ' A' ' 28' ' ' GLY . 0.9 OUTLIER -39.91 133.46 1.62 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.526 0.78 . . . . 0.0 109.304 -179.993 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -132.45 29.15 3.34 Favored Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.547 1.154 . . . . 0.0 110.992 -179.958 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 31' ' ' CYS . . . . . 0.487 ' HG ' ' HG ' ' A' ' 54' ' ' SER . 26.0 p -115.67 146.97 41.37 Favored 'General case' 0 C--N 1.325 -0.471 0 N-CA-C 108.322 -0.992 . . . . 0.0 108.322 179.984 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -108.19 136.5 47.75 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.515 1.134 . . . . 0.0 109.981 -179.935 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 33' ' ' ILE . . . . . 0.49 HD11 ' CG2' ' A' ' 82' ' ' VAL . 13.6 pt -107.21 144.88 15.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.485 1.116 . . . . 0.0 109.339 179.948 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 25.0 m -128.07 152.88 47.44 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.476 1.11 . . . . 0.0 110.019 179.984 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 90.2 p -83.81 139.82 32.44 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.486 1.116 . . . . 0.0 109.988 179.994 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -90.88 162.0 28.52 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.501 1.126 . . . . 0.0 111.035 179.95 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 -170.2 0.74 Allowed 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.514 1.797 . . . . 0.0 110.976 -179.982 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 5.2 tt -73.92 -29.53 26.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.46 1.1 . . . . 0.0 109.276 -179.986 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 12.6 pt20 -79.65 -28.47 40.85 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.49 1.119 . . . . 0.0 110.295 -179.972 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 40' ' ' LYS . . . . . 0.942 ' HG2' HD11 ' A' ' 103' ' ' LEU . 0.0 OUTLIER -136.77 61.83 38.02 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.514 1.134 . . . . 0.0 109.299 -179.971 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 41' ' ' PRO . . . . . 0.469 ' HD3' ' N ' ' A' ' 40' ' ' LYS . 18.3 Cg_endo -74.91 146.21 32.76 Favored 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.501 1.79 . . . . 0.0 111.037 179.967 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 142.31 -160.33 27.23 Favored Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.502 1.126 . . . . 0.0 110.983 179.979 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 43' ' ' ILE . . . . . 0.53 HG22 HD12 ' A' ' 65' ' ' ILE . 15.0 mm -119.81 126.03 74.9 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.474 0.749 . . . . 0.0 109.277 -179.938 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 44' ' ' PHE . . . . . 0.589 ' N ' ' CD1' ' A' ' 44' ' ' PHE . 0.8 OUTLIER -137.06 140.86 42.31 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.47 1.106 . . . . 0.0 111.016 -179.986 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 21.6 mt -64.96 142.25 17.16 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.515 1.134 . . . . 0.0 109.288 -179.993 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 1.1 p -110.5 -35.91 5.91 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.501 1.125 . . . . 0.0 109.958 -179.948 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 47' ' ' HIS . . . . . 0.441 ' O ' ' HA ' ' A' ' 31' ' ' CYS . 57.1 t-80 -158.95 147.87 18.55 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.505 1.128 . . . . 0.0 109.635 -179.963 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 48' ' ' VAL . . . . . 0.457 HG21 ' HB2' ' A' ' 54' ' ' SER . 2.5 p -150.7 131.38 4.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.503 1.127 . . . . 0.0 109.271 -179.969 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -67.15 142.23 96.89 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.525 1.141 . . . . 0.0 109.299 179.984 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.01 65.05 6.08 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.443 1.759 . . . . 0.0 111.023 179.999 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 145.21 44.64 0.04 OUTLIER Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.513 1.133 . . . . 0.0 111.016 -179.984 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 52' ' ' SER . . . . . 0.734 ' H ' ' HB3' ' A' ' 55' ' ' ALA . 14.3 p -109.7 -148.1 0.42 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.531 0.783 . . . . 0.0 109.967 -179.975 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 53' ' ' LEU . . . . . 0.765 HD23 ' CD ' ' A' ' 56' ' ' GLU . 0.8 OUTLIER -88.45 -21.64 24.12 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.483 1.114 . . . . 0.0 109.304 -179.997 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 54' ' ' SER . . . . . 0.548 ' HB3' HD12 ' A' ' 59' ' ' LEU . 1.1 m -95.83 -29.75 14.05 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.543 1.152 . . . . 0.0 109.94 -179.949 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 55' ' ' ALA . . . . . 0.734 ' HB3' ' H ' ' A' ' 52' ' ' SER . . . -73.49 -22.61 60.1 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.496 1.122 . . . . 0.0 109.33 -179.999 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 56' ' ' GLU . . . . . 0.765 ' CD ' HD23 ' A' ' 53' ' ' LEU . 3.6 pt-20 -72.88 -37.98 67.14 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.468 1.105 . . . . 0.0 110.288 -179.981 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 57' ' ' VAL . . . . . 0.504 ' CG2' ' HG ' ' A' ' 59' ' ' LEU . 0.9 OUTLIER -79.99 -26.84 12.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.475 1.109 . . . . 0.0 109.305 179.952 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 104.99 43.69 1.61 Allowed Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.477 1.11 . . . . 0.0 111.008 -179.968 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 59' ' ' LEU . . . . . 0.548 HD12 ' HB3' ' A' ' 54' ' ' SER . 19.2 mt -91.03 147.2 23.24 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.494 0.761 . . . . 0.0 109.281 179.978 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 33.0 mt-10 -143.9 163.02 34.6 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.503 1.127 . . . . 0.0 110.257 -179.993 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 32.7 mt -55.09 124.83 8.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.486 1.116 . . . . 0.0 109.296 179.993 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 121.01 -34.35 4.06 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.478 1.111 . . . . 0.0 111.008 -179.957 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 63' ' ' ASP . . . . . 0.471 ' OD2' ' CD2' ' A' ' 59' ' ' LEU . 90.8 m-20 -51.52 99.86 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.481 0.753 . . . . 0.0 109.313 -179.981 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 64' ' ' GLN . . . . . 0.623 ' HB3' ' HB3' ' A' ' 99' ' ' ALA . 29.5 tt0 -83.27 136.49 34.37 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.438 1.086 . . . . 0.0 110.314 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 65' ' ' ILE . . . . . 0.583 ' CG2' ' CG2' ' A' ' 68' ' ' VAL . 26.5 mt -89.54 109.73 20.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.479 1.112 . . . . 0.0 109.356 179.973 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 66' ' ' VAL . . . . . 0.603 HG22 ' O ' ' A' ' 94' ' ' SER . 18.6 m -100.59 -21.4 5.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.507 1.13 . . . . 0.0 109.355 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 67' ' ' GLU . . . . . 0.424 ' HG2' ' N ' ' A' ' 68' ' ' VAL . 27.6 tt0 -152.05 151.55 31.27 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.446 1.091 . . . . 0.0 110.306 179.964 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 68' ' ' VAL . . . . . 0.626 ' O ' HG23 ' A' ' 71' ' ' VAL . 86.4 t -151.21 113.78 0.53 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.492 1.12 . . . . 0.0 109.314 -179.986 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 69' ' ' ASN . . . . . 0.756 ' ND2' HD23 ' A' ' 91' ' ' LEU . 1.1 t-20 58.56 20.73 7.89 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.523 1.139 . . . . 0.0 109.32 -179.993 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 95.31 8.87 58.42 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.472 1.107 . . . . 0.0 111.007 -179.978 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 71' ' ' VAL . . . . . 0.626 HG23 ' O ' ' A' ' 68' ' ' VAL . 78.4 t -83.53 158.91 3.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.491 0.76 . . . . 0.0 109.261 -179.986 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 6.1 t0 -94.71 88.17 5.29 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.509 1.131 . . . . 0.0 109.328 179.958 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 73' ' ' PHE . . . . . 0.936 ' CD1' HD12 ' A' ' 76' ' ' LEU . 4.0 m-85 -91.85 17.17 9.49 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.477 1.111 . . . . 0.0 110.984 180.0 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -67.15 -38.38 85.38 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.502 1.126 . . . . 0.0 109.987 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 61.2 m-80 -140.11 54.5 1.64 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.565 1.166 . . . . 0.0 109.319 179.969 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 76' ' ' LEU . . . . . 0.936 HD12 ' CD1' ' A' ' 73' ' ' PHE . 6.2 mt -89.25 -166.76 1.68 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.505 1.128 . . . . 0.0 109.363 179.965 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 33.9 t70 -130.46 169.56 15.36 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.515 1.134 . . . . 0.0 109.283 179.982 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 78' ' ' HIS . . . . . . . . . . . . . 61.5 t-80 -70.51 -6.97 40.07 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.534 1.146 . . . . 0.0 109.584 179.979 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -108.96 -38.02 5.69 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.516 1.135 . . . . 0.0 109.29 -179.999 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 80' ' ' GLU . . . . . 0.759 ' O ' HG23 ' A' ' 84' ' ' VAL . 4.1 mt-10 -77.28 -38.05 51.61 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.535 1.147 . . . . 0.0 110.274 -179.99 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 81' ' ' ALA . . . . . 0.515 ' HA ' HD13 ' A' ' 76' ' ' LEU . . . -69.62 -33.77 73.14 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.532 1.145 . . . . 0.0 109.264 -179.985 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 82' ' ' VAL . . . . . 0.49 ' CG2' HD11 ' A' ' 33' ' ' ILE . 55.3 t -77.52 -57.37 5.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.516 1.135 . . . . 0.0 109.273 -179.971 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 8.6 t30 -46.42 -44.7 17.45 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.505 1.128 . . . . 0.0 109.316 179.984 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 84' ' ' VAL . . . . . 0.759 HG23 ' O ' ' A' ' 80' ' ' GLU . 68.9 t -62.86 -33.23 59.18 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.506 1.129 . . . . 0.0 109.336 179.961 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 85' ' ' LEU . . . . . 0.471 ' N ' ' O ' ' A' ' 82' ' ' VAL . 37.8 mt -75.38 -34.8 61.13 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.494 1.121 . . . . 0.0 109.298 -179.96 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 86' ' ' LYS . . . . . 0.471 ' O ' ' C ' ' A' ' 87' ' ' SER . 2.4 mtmt -77.54 -28.94 52.04 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.413 1.071 . . . . 0.0 109.287 179.971 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 87' ' ' SER . . . . . 0.471 ' C ' ' O ' ' A' ' 86' ' ' LYS . 40.5 t -33.87 -70.5 0.08 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.526 1.141 . . . . 0.0 110.005 -179.985 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 88' ' ' SER . . . . . 0.793 ' O ' HD11 ' A' ' 91' ' ' LEU . 0.3 OUTLIER -125.57 176.93 6.52 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.486 1.116 . . . . 0.0 109.961 -179.995 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 22.5 mmt-85 -86.84 -57.4 2.99 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.532 1.145 . . . . 0.0 110.299 179.992 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -76.68 106.07 8.12 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.5 1.125 . . . . 0.0 110.013 -179.976 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 91' ' ' LEU . . . . . 0.793 HD11 ' O ' ' A' ' 88' ' ' SER . 1.0 OUTLIER -131.21 146.67 52.42 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.55 1.156 . . . . 0.0 109.277 179.993 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 92' ' ' THR . . . . . 0.525 HG23 ' HD3' ' A' ' 18' ' ' LYS . 26.6 m -105.85 101.22 10.73 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.551 1.157 . . . . 0.0 110.393 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 93' ' ' ILE . . . . . 0.48 ' O ' HG23 ' A' ' 19' ' ' VAL . 13.6 mt -89.34 133.68 30.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.47 1.106 . . . . 0.0 109.305 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 94' ' ' SER . . . . . 0.603 ' O ' HG22 ' A' ' 66' ' ' VAL . 0.3 OUTLIER -115.17 103.08 10.51 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.48 1.112 . . . . 0.0 109.985 -179.974 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 95' ' ' ILE . . . . . 0.609 HD11 ' CE ' ' A' ' 17' ' ' LYS . 1.1 pt -100.8 166.05 2.42 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.515 1.134 . . . . 0.0 109.262 -179.982 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 96' ' ' VAL . . . . . 0.924 ' HB ' ' HB2' ' A' ' 99' ' ' ALA . 74.6 t -109.34 33.69 0.77 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.523 1.139 . . . . 0.0 109.325 179.983 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 97' ' ' ALA . . . . . 0.51 ' H ' HD12 ' A' ' 95' ' ' ILE . . . 45.4 93.29 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.501 1.126 . . . . 0.0 109.31 179.983 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 98' ' ' ALA . . . . . 0.722 ' HB1' ' HG3' ' A' ' 101' ' ' ARG . . . 47.81 58.6 4.86 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.527 1.142 . . . . 0.0 109.274 179.983 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 99' ' ' ALA . . . . . 0.924 ' HB2' ' HB ' ' A' ' 96' ' ' VAL . . . -62.32 -64.93 0.77 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.49 1.119 . . . . 0.0 109.282 -179.98 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . -105.21 57.45 0.5 Allowed Glycine 0 CA--C 1.531 1.041 0 O-C-N 124.513 1.133 . . . . 0.0 110.988 -179.982 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 101' ' ' ARG . . . . . 0.722 ' HG3' ' HB1' ' A' ' 98' ' ' ALA . 0.0 OUTLIER -67.81 -26.84 66.28 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.497 0.763 . . . . 0.0 110.329 179.975 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 4.1 tp10 -50.73 -46.81 59.28 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.508 1.13 . . . . 0.0 110.272 179.991 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 103' ' ' LEU . . . . . 0.942 HD11 ' HG2' ' A' ' 40' ' ' LYS . 59.8 mt -42.94 -48.79 5.95 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.527 1.142 . . . . 0.0 109.358 179.987 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 104' ' ' PHE . . . . . . . . . . . . . 5.5 m-85 -104.82 63.66 0.72 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.553 1.158 . . . . 0.0 111.003 179.985 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 105' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -109.14 127.16 53.95 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.561 1.163 . . . . 0.0 111.006 179.986 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 3.3 m 62.43 116.71 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.544 1.153 . . . . 0.0 110.397 179.991 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -162.29 144.04 10.8 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.499 1.125 . . . . 0.0 109.271 -179.982 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -130.14 113.02 13.97 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.525 1.14 . . . . 0.0 110.298 -179.985 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -114.62 -59.04 2.07 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.454 1.097 . . . . 0.0 109.991 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 112.74 -163.63 12.13 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.471 1.107 . . . . 0.0 110.96 -179.992 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 111' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 175.45 11.21 Favored 'Trans proline' 0 C--N 1.361 1.212 0 O-C-N 124.459 1.768 . . . . 0.0 110.97 -179.985 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 35.1 t -157.19 131.47 8.45 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.466 1.104 . . . . 0.0 110.008 179.923 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -57.59 170.53 0.55 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.534 1.146 . . . . 0.0 109.956 -179.955 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.996 0 O-C-N 124.48 1.113 . . . . 0.0 111.016 179.991 . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.949 0 N-CA-C 111.009 -0.837 . . . . 0.0 111.009 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -159.37 105.66 1.7 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.478 0.752 . . . . 0.0 110.037 179.964 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 58.0 p -139.49 168.15 20.47 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.492 1.12 . . . . 0.0 109.982 -179.949 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -167.49 -147.37 5.26 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.512 1.133 . . . . 0.0 110.995 179.975 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 88.8 p -141.47 164.12 31.09 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.512 0.772 . . . . 0.0 110.009 179.995 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -107.84 -27.1 10.43 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.502 1.126 . . . . 0.0 109.996 -179.981 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 93.1 80.18 1.45 Allowed Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.466 1.104 . . . . 0.0 110.972 179.936 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 31.3 m -131.42 146.67 62.97 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.475 0.75 . . . . 0.0 109.986 -179.968 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 136.89 20.92 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.486 1.782 . . . . 0.0 111.014 179.98 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 63.57 138.08 0.01 OUTLIER Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.524 1.14 . . . . 0.0 111.015 179.996 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 2.4 m120 -153.28 133.5 13.45 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.538 0.787 . . . . 0.0 109.295 -179.964 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 5.8 mtp180 62.24 159.35 0.07 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.508 1.13 . . . . 0.0 110.358 -179.985 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 6.9 tt0 65.93 62.03 0.62 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.508 1.13 . . . . 0.0 110.282 179.988 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -177.05 -74.01 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.467 1.105 . . . . 0.0 109.351 -179.973 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -99.97 170.31 8.6 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.521 1.138 . . . . 0.0 109.332 179.954 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 26.6 mt-10 47.55 87.96 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.492 1.12 . . . . 0.0 110.342 -179.971 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 17' ' ' LYS . . . . . 0.887 ' HE2' HD11 ' A' ' 95' ' ' ILE . 0.1 OUTLIER -109.92 147.22 33.81 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.444 1.09 . . . . 0.0 109.288 -179.96 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -95.88 128.78 43.06 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.497 1.123 . . . . 0.0 109.334 179.965 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 19' ' ' VAL . . . . . 0.701 HG22 ' O ' ' A' ' 93' ' ' ILE . 23.9 m -125.4 156.58 34.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.481 1.113 . . . . 0.0 109.32 -179.985 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 20' ' ' PHE . . . . . 0.603 ' CE1' ' OG1' ' A' ' 92' ' ' THR . 2.3 t80 -131.23 111.48 11.95 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.49 1.119 . . . . 0.0 110.951 -179.986 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 21' ' ' ILE . . . . . 0.645 HG23 HD23 ' A' ' 53' ' ' LEU . 1.1 mp -95.26 101.92 13.0 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.484 1.115 . . . . 0.0 109.31 -179.987 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 22' ' ' SER . . . . . 0.678 ' O ' HD11 ' A' ' 53' ' ' LEU . 27.2 t -95.04 109.81 21.81 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.501 1.126 . . . . 0.0 109.952 -179.936 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.469 ' CD2' ' HA2' ' A' ' 28' ' ' GLY . 0.4 OUTLIER -83.66 71.85 10.36 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.474 1.109 . . . . 0.0 109.31 179.967 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 3.4 m -129.2 165.44 29.09 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 O-C-N 124.517 1.136 . . . . 0.0 109.286 -179.978 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 76.91 -92.24 1.02 Allowed Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.475 1.109 . . . . 0.0 111.007 179.973 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -162.41 74.77 0.42 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.436 0.727 . . . . 0.0 109.999 -179.991 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 27' ' ' ARG . . . . . 0.466 ' CZ ' ' O ' ' A' ' 51' ' ' GLY . 4.7 mtt180 -157.27 173.47 16.9 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.52 1.138 . . . . 0.0 110.314 179.994 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 28' ' ' GLY . . . . . 0.469 ' HA2' ' CD2' ' A' ' 23' ' ' LEU . . . -173.05 57.38 0.15 Allowed Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.461 1.1 . . . . 0.0 110.966 179.974 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 29' ' ' LEU . . . . . 0.564 HD12 HG12 ' A' ' 21' ' ' ILE . 0.5 OUTLIER 62.39 107.57 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.483 0.754 . . . . 0.0 109.309 -179.984 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 30' ' ' GLY . . . . . 0.428 ' O ' ' N ' ' A' ' 49' ' ' LYS . . . -101.65 40.87 2.28 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.489 1.118 . . . . 0.0 111.017 179.987 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 31' ' ' CYS . . . . . 0.487 ' HB3' HG22 ' A' ' 48' ' ' VAL . 27.9 p -139.05 142.48 38.2 Favored 'General case' 0 C--N 1.325 -0.48 0 N-CA-C 108.289 -1.004 . . . . 0.0 108.289 -179.98 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -88.14 133.25 34.05 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.48 1.113 . . . . 0.0 110.049 179.934 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 33' ' ' ILE . . . . . 0.42 HD11 ' CG2' ' A' ' 82' ' ' VAL . 9.7 pt -112.8 143.19 23.0 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.528 0 O-C-N 124.529 1.143 . . . . 0.0 109.287 -179.98 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -137.55 166.23 24.4 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.459 1.099 . . . . 0.0 109.998 -179.988 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 61.6 m -104.17 133.23 49.44 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.499 1.125 . . . . 0.0 109.934 -179.983 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -72.99 178.06 41.06 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.525 1.14 . . . . 0.0 111.013 179.954 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 -171.4 0.97 Allowed 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.519 1.8 . . . . 0.0 110.97 -179.969 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 5.4 tt -73.38 -30.14 29.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.543 1.152 . . . . 0.0 109.29 -179.959 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 16.7 pt20 -77.64 -29.77 51.84 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.483 1.115 . . . . 0.0 110.309 179.997 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 40' ' ' LYS . . . . . 0.622 ' HD3' HD11 ' A' ' 103' ' ' LEU . 22.6 tttp -137.77 62.53 35.03 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.505 1.128 . . . . 0.0 109.314 179.972 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 41' ' ' PRO . . . . . 0.457 ' HD3' ' N ' ' A' ' 40' ' ' LYS . 18.4 Cg_endo -75.01 146.99 33.26 Favored 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.517 1.799 . . . . 0.0 110.995 179.979 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 154.58 -168.04 32.65 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.528 1.142 . . . . 0.0 110.977 -179.966 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 43' ' ' ILE . . . . . 0.68 HG22 HD12 ' A' ' 65' ' ' ILE . 14.6 mm -117.47 115.19 47.88 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.531 0.783 . . . . 0.0 109.292 -179.994 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 44' ' ' PHE . . . . . 0.595 ' CD2' ' HB2' ' A' ' 64' ' ' GLN . 2.2 m-85 -123.88 157.82 33.34 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.472 1.108 . . . . 0.0 111.001 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 45' ' ' ILE . . . . . 0.595 ' O ' ' CZ ' ' A' ' 104' ' ' PHE . 20.4 mt -86.26 142.72 12.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.447 1.092 . . . . 0.0 109.31 -179.977 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 46' ' ' SER . . . . . 0.49 ' HA ' ' CE1' ' A' ' 104' ' ' PHE . 1.0 OUTLIER -105.78 -37.4 6.72 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.485 1.116 . . . . 0.0 110.018 179.982 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 59.4 t-80 -151.28 166.44 30.94 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.483 1.114 . . . . 0.0 109.585 -179.976 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 48' ' ' VAL . . . . . 0.487 HG22 ' HB3' ' A' ' 31' ' ' CYS . 17.2 t -142.86 138.94 27.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.471 1.107 . . . . 0.0 109.275 -179.992 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 49' ' ' LYS . . . . . 0.428 ' N ' ' O ' ' A' ' 30' ' ' GLY . 11.1 mttt -88.39 155.59 51.37 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.519 1.137 . . . . 0.0 109.276 179.984 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 105.57 2.11 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.468 1.773 . . . . 0.0 111.032 179.957 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 51' ' ' GLY . . . . . 0.466 ' O ' ' CZ ' ' A' ' 27' ' ' ARG . . . 81.1 53.16 4.01 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.451 1.094 . . . . 0.0 110.97 179.976 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 52' ' ' SER . . . . . 0.561 ' H ' ' HB3' ' A' ' 55' ' ' ALA . 79.1 p -111.88 -171.4 1.84 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.518 0.775 . . . . 0.0 109.973 -179.968 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 53' ' ' LEU . . . . . 0.678 HD11 ' O ' ' A' ' 22' ' ' SER . 1.5 tp -68.99 -15.43 63.48 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.494 1.121 . . . . 0.0 109.261 -179.953 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 54' ' ' SER . . . . . 0.616 ' O ' HG22 ' A' ' 57' ' ' VAL . 0.0 OUTLIER -94.1 -45.21 7.65 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.505 1.128 . . . . 0.0 109.987 -179.983 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 55' ' ' ALA . . . . . 0.561 ' HB3' ' H ' ' A' ' 52' ' ' SER . . . -66.53 -46.57 75.71 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.557 1.161 . . . . 0.0 109.31 179.989 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 56' ' ' GLU . . . . . 0.667 ' HG3' HG13 ' A' ' 57' ' ' VAL . 11.5 pt-20 -44.63 -33.25 1.74 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.519 1.137 . . . . 0.0 110.298 -179.99 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 57' ' ' VAL . . . . . 0.667 HG13 ' HG3' ' A' ' 56' ' ' GLU . 34.6 m -95.04 -25.77 4.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.516 1.135 . . . . 0.0 109.319 179.959 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 58' ' ' GLY . . . . . 0.445 ' N ' ' O ' ' A' ' 55' ' ' ALA . . . 102.96 36.27 3.47 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.515 1.134 . . . . 0.0 111.044 -179.967 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 59' ' ' LEU . . . . . 0.488 ' HG ' HG23 ' A' ' 57' ' ' VAL . 18.0 mt -81.7 138.26 35.27 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.505 0.767 . . . . 0.0 109.269 -179.981 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 46.0 mt-10 -134.55 167.42 20.82 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.519 1.137 . . . . 0.0 110.295 179.981 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 61' ' ' ILE . . . . . 0.468 ' O ' ' CG ' ' A' ' 101' ' ' ARG . 36.6 mt -56.93 135.62 20.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.506 1.129 . . . . 0.0 109.321 179.948 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 107.23 -31.36 8.19 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.481 1.113 . . . . 0.0 111.016 -179.987 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 63' ' ' ASP . . . . . 0.584 ' CG ' HD13 ' A' ' 95' ' ' ILE . 37.6 m-20 -54.2 97.54 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.499 0.764 . . . . 0.0 109.311 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 64' ' ' GLN . . . . . 0.595 ' HB2' ' CD2' ' A' ' 44' ' ' PHE . 36.1 tt0 -83.2 125.05 31.13 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.489 1.118 . . . . 0.0 110.254 -179.948 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 65' ' ' ILE . . . . . 0.68 HD12 HG22 ' A' ' 43' ' ' ILE . 20.0 mt -75.87 108.32 7.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.537 1.148 . . . . 0.0 109.302 179.938 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 66' ' ' VAL . . . . . 0.717 HG22 ' O ' ' A' ' 94' ' ' SER . 20.9 m -99.34 -21.37 5.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.502 1.126 . . . . 0.0 109.338 179.932 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 67' ' ' GLU . . . . . 0.426 ' C ' HG23 ' A' ' 68' ' ' VAL . 36.1 tt0 -153.26 153.02 31.84 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.536 1.148 . . . . 0.0 110.275 -179.984 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 68' ' ' VAL . . . . . 0.634 ' O ' HG23 ' A' ' 71' ' ' VAL . 94.3 t -152.64 115.38 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.529 1.143 . . . . 0.0 109.326 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 69' ' ' ASN . . . . . 0.861 ' ND2' HD23 ' A' ' 91' ' ' LEU . 1.0 OUTLIER 56.36 24.11 8.02 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.484 1.115 . . . . 0.0 109.285 -179.998 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 89.23 18.39 53.37 Favored Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.507 1.129 . . . . 0.0 110.969 179.968 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 71' ' ' VAL . . . . . 0.634 HG23 ' O ' ' A' ' 68' ' ' VAL . 86.6 t -93.63 158.68 2.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.535 0.785 . . . . 0.0 109.322 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 8.6 t0 -92.53 86.46 5.63 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.506 1.129 . . . . 0.0 109.293 -179.952 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 73' ' ' PHE . . . . . 0.812 ' CD1' HD12 ' A' ' 76' ' ' LEU . 4.6 m-85 -93.44 25.68 3.32 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.497 1.123 . . . . 0.0 111.021 -179.983 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -81.02 -34.93 32.5 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.5 1.125 . . . . 0.0 110.033 179.963 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 20.5 m120 -136.58 46.08 2.26 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.499 1.125 . . . . 0.0 109.297 179.995 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 76' ' ' LEU . . . . . 0.812 HD12 ' CD1' ' A' ' 73' ' ' PHE . 6.3 mt -84.72 -166.83 1.58 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.469 1.106 . . . . 0.0 109.32 -179.985 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 39.0 t70 -132.65 170.21 15.55 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.499 1.124 . . . . 0.0 109.285 179.999 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 78' ' ' HIS . . . . . . . . . . . . . 64.3 t-80 -71.39 -6.18 38.26 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.453 1.096 . . . . 0.0 109.583 179.996 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 18.0 mttt -109.39 -37.06 5.84 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.472 1.107 . . . . 0.0 109.34 179.97 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 80' ' ' GLU . . . . . 0.703 ' CB ' HD22 ' A' ' 76' ' ' LEU . 9.4 mt-10 -77.91 -36.3 49.64 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.522 1.138 . . . . 0.0 110.262 -179.979 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 81' ' ' ALA . . . . . 0.438 ' HA ' HD13 ' A' ' 76' ' ' LEU . . . -72.02 -31.89 66.63 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.557 1.161 . . . . 0.0 109.289 -179.976 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 82' ' ' VAL . . . . . 0.817 HG12 ' CE ' ' A' ' 86' ' ' LYS . 21.0 t -81.19 -40.2 18.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.52 1.138 . . . . 0.0 109.299 -179.983 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 36.1 t30 -62.03 -42.97 99.74 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.496 1.122 . . . . 0.0 109.289 179.989 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 84' ' ' VAL . . . . . 0.496 HG23 ' O ' ' A' ' 80' ' ' GLU . 78.5 t -73.99 -30.46 27.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.451 1.094 . . . . 0.0 109.276 -179.968 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 19.0 mt -76.85 -31.08 56.61 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.527 1.142 . . . . 0.0 109.259 -179.96 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 86' ' ' LYS . . . . . 0.817 ' CE ' HG12 ' A' ' 82' ' ' VAL . 8.9 ptpt -94.03 -9.37 37.01 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.488 1.118 . . . . 0.0 109.312 -179.99 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -53.62 -62.72 1.47 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.513 1.133 . . . . 0.0 109.983 -179.95 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 88' ' ' SER . . . . . 0.831 ' O ' HD11 ' A' ' 91' ' ' LEU . 0.2 OUTLIER -120.86 164.91 15.93 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.499 1.124 . . . . 0.0 109.973 179.993 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 89' ' ' ARG . . . . . 0.468 ' CA ' ' HB2' ' A' ' 23' ' ' LEU . 50.9 mmt-85 -74.06 -64.65 0.97 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.518 1.137 . . . . 0.0 110.284 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 1.1 m -81.25 122.44 27.42 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.546 1.154 . . . . 0.0 109.975 -179.96 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 91' ' ' LEU . . . . . 0.861 HD23 ' ND2' ' A' ' 69' ' ' ASN . 1.0 OUTLIER -140.94 149.21 41.56 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.521 1.138 . . . . 0.0 109.277 179.996 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 92' ' ' THR . . . . . 0.603 ' OG1' ' CE1' ' A' ' 20' ' ' PHE . 16.0 m -104.78 100.9 10.53 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.525 1.141 . . . . 0.0 110.424 179.971 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 93' ' ' ILE . . . . . 0.701 ' O ' HG22 ' A' ' 19' ' ' VAL . 22.7 mt -89.19 141.2 14.64 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.481 1.113 . . . . 0.0 109.308 -179.993 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 94' ' ' SER . . . . . 0.717 ' O ' HG22 ' A' ' 66' ' ' VAL . 0.3 OUTLIER -121.26 103.63 9.13 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.465 1.103 . . . . 0.0 110.007 -179.981 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 95' ' ' ILE . . . . . 0.887 HD11 ' HE2' ' A' ' 17' ' ' LYS . 1.1 pt -100.1 166.86 2.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.508 1.13 . . . . 0.0 109.33 179.994 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 96' ' ' VAL . . . . . 0.899 ' HB ' ' HB2' ' A' ' 99' ' ' ALA . 71.0 t -108.28 31.5 0.96 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.491 1.119 . . . . 0.0 109.263 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 97' ' ' ALA . . . . . 0.606 ' H ' HD12 ' A' ' 95' ' ' ILE . . . 47.27 96.04 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.557 1.16 . . . . 0.0 109.313 -179.976 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 98' ' ' ALA . . . . . 0.489 ' HB1' ' HG3' ' A' ' 101' ' ' ARG . . . 45.78 58.09 4.59 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.574 1.171 . . . . 0.0 109.299 179.994 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 99' ' ' ALA . . . . . 0.899 ' HB2' ' HB ' ' A' ' 96' ' ' VAL . . . -64.09 -61.54 2.2 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.439 1.087 . . . . 0.0 109.295 -179.962 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . -111.53 60.0 0.35 Allowed Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.509 1.13 . . . . 0.0 110.988 179.97 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 101' ' ' ARG . . . . . 0.489 ' HG3' ' HB1' ' A' ' 98' ' ' ALA . 0.0 OUTLIER -72.06 -24.9 61.59 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.539 0.787 . . . . 0.0 110.3 179.965 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -70.48 -22.73 62.64 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.459 1.1 . . . . 0.0 110.301 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 103' ' ' LEU . . . . . 0.622 HD11 ' HD3' ' A' ' 40' ' ' LYS . 21.1 mt -61.86 -21.71 64.91 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.534 1.146 . . . . 0.0 109.264 179.963 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 104' ' ' PHE . . . . . 0.595 ' CZ ' ' O ' ' A' ' 45' ' ' ILE . 56.9 m-85 -118.51 48.21 1.48 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.531 1.144 . . . . 0.0 110.998 179.989 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 105' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -73.55 103.73 4.26 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.562 1.164 . . . . 0.0 111.016 179.993 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 22.7 m 60.45 152.29 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.487 1.117 . . . . 0.0 110.422 -179.971 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 3.3 p30 -176.86 155.67 1.27 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.537 1.148 . . . . 0.0 109.284 179.998 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -105.82 145.36 31.29 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.528 1.142 . . . . 0.0 110.311 179.949 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 9.6 t -152.16 107.75 3.33 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.483 1.115 . . . . 0.0 110.003 -179.961 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . -125.76 -174.35 13.88 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.493 1.12 . . . . 0.0 110.997 179.989 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 111' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 159.23 41.58 Favored 'Trans proline' 0 C--N 1.361 1.198 0 O-C-N 124.469 1.773 . . . . 0.0 111.014 179.96 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 26.1 p -171.04 132.81 0.85 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.494 1.121 . . . . 0.0 109.981 -179.985 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 14.7 m -160.57 123.33 3.3 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.522 1.139 . . . . 0.0 110.002 179.963 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.025 0 O-C-N 124.515 1.135 . . . . 0.0 110.999 -179.98 . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.992 0 N-CA-C 111.035 -0.826 . . . . 0.0 111.035 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 46.7 t -168.74 99.69 0.39 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.531 0.783 . . . . 0.0 110.001 179.995 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 33.2 p -127.39 150.07 49.79 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.506 1.129 . . . . 0.0 109.999 -180.0 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 143.86 177.04 18.44 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.486 1.116 . . . . 0.0 111.0 179.973 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 61.55 101.1 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.529 0.782 . . . . 0.0 110.038 -179.945 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -109.75 -27.2 9.45 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.513 1.133 . . . . 0.0 109.941 -179.955 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 65.44 139.89 0.03 OUTLIER Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.508 1.13 . . . . 0.0 111.052 -179.975 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 4.6 t -125.11 147.42 57.03 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.465 0.744 . . . . 0.0 109.981 -179.966 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.93 -177.54 3.52 Favored 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.473 1.775 . . . . 0.0 111.021 179.993 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -170.18 88.2 0.09 OUTLIER Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.533 1.146 . . . . 0.0 110.988 -179.988 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 19.4 m120 -153.13 130.87 11.6 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.47 0.747 . . . . 0.0 109.273 179.989 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 8.9 tmm_? -179.03 119.99 0.07 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.452 1.095 . . . . 0.0 110.293 179.975 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -125.72 -64.39 1.06 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.424 1.077 . . . . 0.0 110.319 179.998 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -45.19 168.26 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.546 1.154 . . . . 0.0 109.311 179.97 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 15' ' ' LYS . . . . . 0.434 ' O ' ' C ' ' A' ' 96' ' ' VAL . 3.5 tptm -90.85 109.6 20.81 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.492 1.12 . . . . 0.0 109.316 179.985 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -115.23 144.37 43.82 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.501 1.126 . . . . 0.0 110.317 179.984 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 17' ' ' LYS . . . . . 0.419 ' CG ' HG13 ' A' ' 95' ' ' ILE . 0.0 OUTLIER -132.43 143.83 50.07 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.507 1.129 . . . . 0.0 109.363 179.971 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -100.82 112.03 24.36 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.473 1.108 . . . . 0.0 109.298 -179.95 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 19' ' ' VAL . . . . . 0.681 HG23 ' HB ' ' A' ' 93' ' ' ILE . 3.6 m -117.37 130.25 72.56 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.523 1.139 . . . . 0.0 109.292 -179.971 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 20' ' ' PHE . . . . . 0.415 ' CD1' ' O ' ' A' ' 91' ' ' LEU . 0.1 OUTLIER -108.11 110.28 21.9 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.443 1.089 . . . . 0.0 110.995 179.977 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 20.6 mm -97.01 121.05 47.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.435 1.084 . . . . 0.0 109.261 -179.964 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 22' ' ' SER . . . . . 0.704 ' O ' HD11 ' A' ' 53' ' ' LEU . 82.6 p -118.7 119.54 34.76 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.546 1.154 . . . . 0.0 109.996 -179.993 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.413 HD11 ' H ' ' A' ' 29' ' ' LEU . 4.4 mm? -91.31 53.5 2.33 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.523 1.14 . . . . 0.0 109.276 -179.97 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 3.6 m -123.37 167.6 16.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.505 1.128 . . . . 0.0 109.316 179.952 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 49.04 -172.55 0.06 OUTLIER Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.492 1.12 . . . . 0.0 111.008 -179.99 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 54.5 m -68.18 79.59 0.24 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.506 0.768 . . . . 0.0 110.005 179.953 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -170.77 106.22 0.27 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.465 1.103 . . . . 0.0 110.3 179.956 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -114.74 149.57 18.81 Favored Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.478 1.111 . . . . 0.0 110.977 -179.983 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 29' ' ' LEU . . . . . 0.662 HD11 ' SG ' ' A' ' 31' ' ' CYS . 1.1 tp -61.53 149.0 40.27 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.526 0.78 . . . . 0.0 109.303 179.97 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -146.45 31.24 1.54 Allowed Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.516 1.135 . . . . 0.0 110.962 179.994 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 31' ' ' CYS . . . . . 0.662 ' SG ' HD11 ' A' ' 29' ' ' LEU . 26.5 p -119.27 147.13 44.63 Favored 'General case' 0 C--N 1.324 -0.51 0 N-CA-C 108.312 -0.995 . . . . 0.0 108.312 179.945 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -109.45 135.44 50.48 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.52 1.137 . . . . 0.0 109.983 -179.971 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 33' ' ' ILE . . . . . 0.424 HD11 ' CG2' ' A' ' 82' ' ' VAL . 14.9 pt -104.66 152.65 6.7 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 O-C-N 124.505 1.128 . . . . 0.0 109.281 -179.945 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 34' ' ' SER . . . . . 0.423 ' HG ' ' HZ ' ' A' ' 104' ' ' PHE . 59.1 p -132.42 159.21 39.95 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.509 1.131 . . . . 0.0 109.967 -179.96 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 24.3 p -88.1 147.93 24.7 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.5 1.125 . . . . 0.0 110.025 179.984 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -104.08 160.4 16.02 Favored Glycine 0 CA--C 1.53 0.969 0 O-C-N 124.496 1.123 . . . . 0.0 110.985 -179.97 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 -166.64 0.36 Allowed 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.504 1.792 . . . . 0.0 110.978 -179.96 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 38' ' ' ILE . . . . . 0.423 HG22 ' H ' ' A' ' 38' ' ' ILE . 0.8 OUTLIER -76.65 -30.48 18.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.524 1.14 . . . . 0.0 109.307 179.996 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 7.7 pt20 -79.29 -28.31 42.24 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.489 1.118 . . . . 0.0 110.281 -179.996 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 40' ' ' LYS . . . . . 0.731 ' HG2' HD11 ' A' ' 103' ' ' LEU . 0.0 OUTLIER -136.22 61.26 38.3 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.533 1.145 . . . . 0.0 109.298 -179.972 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 41' ' ' PRO . . . . . 0.474 ' HD3' ' N ' ' A' ' 40' ' ' LYS . 18.4 Cg_endo -74.97 146.72 33.12 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.5 1.79 . . . . 0.0 111.037 179.984 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 138.09 -168.67 24.5 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.492 1.12 . . . . 0.0 111.001 -179.982 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 43' ' ' ILE . . . . . 0.663 HG22 HD12 ' A' ' 65' ' ' ILE . 14.4 mm -109.85 123.99 66.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.475 0.75 . . . . 0.0 109.295 -179.991 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 44' ' ' PHE . . . . . 0.575 ' CD2' ' HB2' ' A' ' 64' ' ' GLN . 1.4 m-85 -129.67 139.83 51.29 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.483 1.115 . . . . 0.0 110.991 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 45' ' ' ILE . . . . . 0.608 ' O ' ' CZ ' ' A' ' 104' ' ' PHE . 8.6 mt -63.88 147.21 12.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.48 1.113 . . . . 0.0 109.298 179.954 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 1.5 p -117.17 -37.62 3.51 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.492 1.12 . . . . 0.0 110.026 179.978 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 47' ' ' HIS . . . . . 0.446 ' O ' ' HA ' ' A' ' 31' ' ' CYS . 57.3 t-80 -158.96 147.68 18.4 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.493 1.121 . . . . 0.0 109.613 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 48' ' ' VAL . . . . . 0.496 HG21 ' HB2' ' A' ' 54' ' ' SER . 2.5 p -150.69 131.52 4.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.535 1.147 . . . . 0.0 109.282 179.978 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 49' ' ' LYS . . . . . 0.405 ' O ' ' HB2' ' A' ' 55' ' ' ALA . 0.9 OUTLIER -67.5 142.52 96.39 Favored Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.457 1.098 . . . . 0.0 109.325 180.0 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 55.33 3.9 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.497 1.788 . . . . 0.0 111.016 179.979 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 158.91 42.63 0.02 OUTLIER Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.48 1.113 . . . . 0.0 110.984 179.995 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 52' ' ' SER . . . . . 0.626 ' H ' ' HB3' ' A' ' 55' ' ' ALA . 26.6 p -108.43 -152.01 0.48 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.55 0.794 . . . . 0.0 110.032 -179.998 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 53' ' ' LEU . . . . . 0.704 HD11 ' O ' ' A' ' 22' ' ' SER . 0.8 OUTLIER -86.83 -20.6 27.28 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.506 1.129 . . . . 0.0 109.274 179.985 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 54' ' ' SER . . . . . 0.643 ' HB3' HD12 ' A' ' 59' ' ' LEU . 0.7 OUTLIER -94.66 -30.93 14.07 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.469 1.106 . . . . 0.0 110.028 179.962 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 55' ' ' ALA . . . . . 0.626 ' HB3' ' H ' ' A' ' 52' ' ' SER . . . -70.36 -19.88 63.01 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.491 1.12 . . . . 0.0 109.307 179.975 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 56' ' ' GLU . . . . . 0.474 ' CG ' ' O ' ' A' ' 53' ' ' LEU . 2.3 pt-20 -78.01 -33.67 51.11 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.563 1.164 . . . . 0.0 110.309 179.988 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 57' ' ' VAL . . . . . 0.512 ' CG2' ' HG ' ' A' ' 59' ' ' LEU . 0.9 OUTLIER -83.68 -23.91 7.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.478 1.111 . . . . 0.0 109.297 -179.963 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 100.86 39.09 3.22 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.436 1.085 . . . . 0.0 110.957 179.954 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 59' ' ' LEU . . . . . 0.643 HD12 ' HB3' ' A' ' 54' ' ' SER . 13.4 mt -84.8 148.71 26.18 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.505 0.768 . . . . 0.0 109.368 179.943 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 33.8 mt-10 -145.47 162.87 36.33 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.505 1.128 . . . . 0.0 110.318 -179.993 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 61' ' ' ILE . . . . . 0.444 ' O ' ' NH1' ' A' ' 101' ' ' ARG . 42.5 mt -56.05 124.25 8.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.532 1.145 . . . . 0.0 109.312 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 121.27 -38.64 2.6 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.447 1.092 . . . . 0.0 111.022 -179.942 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 63' ' ' ASP . . . . . 0.709 ' HB3' HD13 ' A' ' 95' ' ' ILE . 92.1 m-20 -48.04 98.0 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.514 0.773 . . . . 0.0 109.275 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 64' ' ' GLN . . . . . 0.636 ' HB3' ' HB3' ' A' ' 99' ' ' ALA . 5.1 tt0 -83.11 134.4 35.0 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.477 1.11 . . . . 0.0 110.312 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 65' ' ' ILE . . . . . 0.745 HG23 HG23 ' A' ' 93' ' ' ILE . 7.2 mt -88.51 110.62 21.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.483 1.114 . . . . 0.0 109.316 179.974 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 66' ' ' VAL . . . . . 0.729 HG22 ' O ' ' A' ' 94' ' ' SER . 19.4 m -100.67 -21.65 5.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.48 1.112 . . . . 0.0 109.271 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 67' ' ' GLU . . . . . 0.451 ' HG2' ' N ' ' A' ' 68' ' ' VAL . 48.6 tt0 -150.69 152.77 34.43 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.52 1.138 . . . . 0.0 110.3 179.958 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 68' ' ' VAL . . . . . 0.708 ' O ' HG23 ' A' ' 71' ' ' VAL . 85.0 t -152.6 121.34 0.76 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.494 1.121 . . . . 0.0 109.255 -179.93 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 69' ' ' ASN . . . . . 0.868 ' ND2' HD23 ' A' ' 91' ' ' LEU . 1.1 t-20 49.69 28.81 2.8 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.513 1.133 . . . . 0.0 109.3 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 84.37 24.67 46.34 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.485 1.115 . . . . 0.0 110.987 179.986 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 71' ' ' VAL . . . . . 0.708 HG23 ' O ' ' A' ' 68' ' ' VAL . 94.9 t -99.56 158.99 3.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.505 0.767 . . . . 0.0 109.261 -179.982 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 6.1 t0 -94.65 88.9 5.56 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.419 1.075 . . . . 0.0 109.286 179.981 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 73' ' ' PHE . . . . . 0.825 ' CD1' HD12 ' A' ' 76' ' ' LEU . 4.5 m-85 -93.97 12.78 24.96 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.492 1.12 . . . . 0.0 110.957 -179.976 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -64.04 -37.05 86.02 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.498 1.124 . . . . 0.0 109.963 -179.971 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 54.9 m-80 -141.1 55.8 1.55 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.498 1.124 . . . . 0.0 109.295 -179.998 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 76' ' ' LEU . . . . . 0.825 HD12 ' CD1' ' A' ' 73' ' ' PHE . 5.6 mt -88.97 -166.17 1.53 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.479 1.112 . . . . 0.0 109.299 -179.989 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 20.4 t70 -129.93 169.01 15.77 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.493 1.121 . . . . 0.0 109.323 179.996 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 78' ' ' HIS . . . . . . . . . . . . . 64.9 t-80 -70.97 -6.61 40.03 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.502 1.126 . . . . 0.0 109.618 179.961 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 4.7 mttm -110.1 -37.88 5.46 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.522 1.139 . . . . 0.0 109.323 179.994 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 80' ' ' GLU . . . . . 0.703 ' CB ' HD22 ' A' ' 76' ' ' LEU . 12.2 mt-10 -76.31 -34.92 59.03 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.56 1.162 . . . . 0.0 110.28 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 81' ' ' ALA . . . . . 0.472 ' HA ' HD13 ' A' ' 76' ' ' LEU . . . -72.73 -35.93 67.64 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.434 1.084 . . . . 0.0 109.28 -179.988 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 82' ' ' VAL . . . . . 0.821 HG12 ' CE ' ' A' ' 86' ' ' LYS . 45.7 t -78.83 -36.15 18.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.499 1.124 . . . . 0.0 109.287 179.997 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 83' ' ' ASN . . . . . 0.43 ' O ' ' N ' ' A' ' 87' ' ' SER . 20.1 t30 -64.19 -47.15 80.89 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.51 1.131 . . . . 0.0 109.36 -180.0 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 84' ' ' VAL . . . . . 0.537 HG11 HG21 ' A' ' 71' ' ' VAL . 77.8 t -68.51 -30.57 47.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.494 1.121 . . . . 0.0 109.288 179.971 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 23.4 mt -76.25 -40.18 52.55 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.531 1.144 . . . . 0.0 109.263 -179.974 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 86' ' ' LYS . . . . . 0.821 ' CE ' HG12 ' A' ' 82' ' ' VAL . 9.2 ptpt -86.49 -5.92 59.03 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.528 1.142 . . . . 0.0 109.339 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 87' ' ' SER . . . . . 0.43 ' N ' ' O ' ' A' ' 83' ' ' ASN . 0.2 OUTLIER -57.22 -52.26 66.03 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.486 1.116 . . . . 0.0 110.023 -179.987 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 88' ' ' SER . . . . . 0.656 ' O ' HD11 ' A' ' 91' ' ' LEU . 0.2 OUTLIER -133.87 176.04 8.93 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.503 1.127 . . . . 0.0 109.987 179.962 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 5.9 mmt180 -86.91 -60.33 2.01 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.522 1.139 . . . . 0.0 110.277 -179.977 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -81.53 116.21 21.2 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.493 1.121 . . . . 0.0 110.015 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 91' ' ' LEU . . . . . 0.868 HD23 ' ND2' ' A' ' 69' ' ' ASN . 1.0 OUTLIER -139.93 149.27 43.11 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.561 1.163 . . . . 0.0 109.31 -179.992 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 92' ' ' THR . . . . . 0.403 ' O ' ' N ' ' A' ' 69' ' ' ASN . 20.8 m -106.1 103.5 12.99 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.47 1.106 . . . . 0.0 110.384 -179.981 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 93' ' ' ILE . . . . . 0.745 HG23 HG23 ' A' ' 65' ' ' ILE . 18.6 mt -89.68 139.41 17.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.445 1.091 . . . . 0.0 109.252 -179.981 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 94' ' ' SER . . . . . 0.729 ' O ' HG22 ' A' ' 66' ' ' VAL . 0.6 OUTLIER -123.53 100.54 6.86 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.535 1.147 . . . . 0.0 109.962 -179.983 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 95' ' ' ILE . . . . . 0.709 HD13 ' HB3' ' A' ' 63' ' ' ASP . 1.8 pt -100.19 174.27 0.99 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.478 1.111 . . . . 0.0 109.334 179.959 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 96' ' ' VAL . . . . . 0.865 ' HB ' ' HB2' ' A' ' 99' ' ' ALA . 76.9 t -112.31 34.45 0.89 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.491 1.119 . . . . 0.0 109.296 -179.963 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . 45.91 93.94 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.502 1.126 . . . . 0.0 109.324 -179.984 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 98' ' ' ALA . . . . . 0.67 ' HB1' ' HG3' ' A' ' 101' ' ' ARG . . . 48.16 57.12 6.45 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.506 1.129 . . . . 0.0 109.327 -179.978 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 99' ' ' ALA . . . . . 0.865 ' HB2' ' HB ' ' A' ' 96' ' ' VAL . . . -61.15 -67.99 0.35 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.483 1.115 . . . . 0.0 109.328 -179.968 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . -102.71 57.34 0.6 Allowed Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.514 1.134 . . . . 0.0 111.007 179.986 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 101' ' ' ARG . . . . . 0.67 ' HG3' ' HB1' ' A' ' 98' ' ' ALA . 0.0 OUTLIER -66.2 -33.81 76.61 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.483 0.755 . . . . 0.0 110.285 -179.996 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 14.0 pt-20 -49.95 -41.24 46.08 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.509 1.131 . . . . 0.0 110.324 -179.975 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 103' ' ' LEU . . . . . 0.731 HD11 ' HG2' ' A' ' 40' ' ' LYS . 63.9 mt -41.31 -42.82 2.29 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.499 1.124 . . . . 0.0 109.319 179.981 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 104' ' ' PHE . . . . . 0.608 ' CZ ' ' O ' ' A' ' 45' ' ' ILE . 19.2 m-85 -110.27 54.52 0.67 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.494 1.121 . . . . 0.0 111.009 179.998 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 105' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -97.62 55.81 1.25 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.522 1.139 . . . . 0.0 111.013 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 106' ' ' THR . . . . . 0.436 ' O ' ' N ' ' A' ' 108' ' ' ARG . 35.9 p -77.27 -41.77 39.62 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.448 1.093 . . . . 0.0 110.374 -179.977 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER 62.75 -82.04 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.502 1.126 . . . . 0.0 109.313 -179.972 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 108' ' ' ARG . . . . . 0.436 ' N ' ' O ' ' A' ' 106' ' ' THR . 4.1 ttp180 -40.86 136.45 1.43 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.508 1.13 . . . . 0.0 110.305 179.975 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 45.5 t -111.98 -60.13 1.9 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.53 1.144 . . . . 0.0 109.998 -179.982 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 81.76 175.63 50.49 Favored Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.489 1.118 . . . . 0.0 111.01 179.999 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 111' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.96 103.77 1.79 Allowed 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.466 1.772 . . . . 0.0 110.996 -179.971 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 30.6 t -157.46 -60.89 0.09 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.492 1.12 . . . . 0.0 110.006 179.991 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 1.9 t 75.72 -58.69 0.54 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.523 1.14 . . . . 0.0 110.022 -179.97 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.012 0 O-C-N 124.508 1.13 . . . . 0.0 111.012 179.975 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 17.0 mt-10 . . . . . 0 N--CA 1.454 -0.257 0 N-CA-C 110.249 -0.278 . . . . 0.0 110.249 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . 0.535 ' HE3' HD11 ' A' ' 95' ' ' ILE . 0.1 OUTLIER -110.25 149.64 29.85 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.521 1.138 . . . . 0.0 109.275 179.99 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -101.99 119.71 39.24 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.479 1.112 . . . . 0.0 109.262 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -120.9 117.32 52.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.521 1.138 . . . . 0.0 109.261 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 20' ' ' PHE . . . . . 0.575 ' CE2' ' OG1' ' A' ' 92' ' ' THR . 0.1 OUTLIER -96.35 114.19 25.84 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.497 1.123 . . . . 0.0 110.998 179.99 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 21' ' ' ILE . . . . . 0.517 HG13 HD12 ' A' ' 93' ' ' ILE . 8.6 mm -96.83 123.26 49.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.51 1.131 . . . . 0.0 109.28 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 22.4 t -111.16 123.74 50.8 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.522 1.139 . . . . 0.0 109.976 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 2.9 mm? . . . . . 0 C--N 1.324 -0.518 0 O-C-N 124.464 1.102 . . . . 0.0 109.266 -179.974 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 30' ' ' GLY . . . . . 0.413 ' N ' ' HB2' ' A' ' 52' ' ' SER . . . . . . . . 0 CA--C 1.53 0.979 0 N-CA-C 111.005 -0.838 . . . . 0.0 111.005 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 31' ' ' CYS . . . . . 0.462 ' HB3' HG22 ' A' ' 48' ' ' VAL . 21.8 p -110.67 149.21 30.78 Favored 'General case' 0 C--N 1.325 -0.461 0 N-CA-C 108.225 -1.028 . . . . 0.0 108.225 -179.916 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -100.36 140.42 34.63 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.464 1.102 . . . . 0.0 109.978 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 9.2 pt -113.66 145.66 19.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.483 1.114 . . . . 0.0 109.308 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -125.72 166.83 16.06 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.502 1.126 . . . . 0.0 110.038 179.973 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 16.7 p -109.14 126.77 53.58 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.5 1.125 . . . . 0.0 110.012 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -76.13 168.79 54.83 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.473 1.108 . . . . 0.0 110.983 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.04 -172.92 1.39 Allowed 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.51 1.795 . . . . 0.0 111.017 179.966 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 38' ' ' ILE . . . . . 0.422 HG22 ' H ' ' A' ' 38' ' ' ILE . 5.3 tt -71.65 -29.53 34.79 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.53 1.144 . . . . 0.0 109.307 -179.975 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 10.8 pt20 -77.44 -31.82 54.14 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.48 1.113 . . . . 0.0 110.282 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 40' ' ' LYS . . . . . 0.54 ' HD3' HD11 ' A' ' 103' ' ' LEU . 25.3 tttp -137.79 62.43 34.44 Favored Pre-proline 0 C--N 1.326 -0.454 0 O-C-N 124.467 1.105 . . . . 0.0 109.346 179.949 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 41' ' ' PRO . . . . . 0.453 ' HD3' ' N ' ' A' ' 40' ' ' LYS . 18.4 Cg_endo -74.96 144.97 31.05 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.508 1.794 . . . . 0.0 110.999 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 156.69 -168.19 33.77 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.443 1.089 . . . . 0.0 111.022 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 43' ' ' ILE . . . . . 0.49 HG22 HD12 ' A' ' 65' ' ' ILE . 6.9 mm -118.51 115.24 47.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.499 0.764 . . . . 0.0 109.294 179.96 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 44' ' ' PHE . . . . . 0.571 ' CD2' ' HB2' ' A' ' 64' ' ' GLN . 2.2 m-85 -121.65 147.59 45.67 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.45 1.094 . . . . 0.0 111.012 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 19.3 mt -76.41 140.3 17.45 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.462 1.101 . . . . 0.0 109.318 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -105.49 -38.37 6.48 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.497 1.123 . . . . 0.0 109.996 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 47' ' ' HIS . . . . . 0.41 ' O ' ' HA ' ' A' ' 31' ' ' CYS . 60.4 t-80 -153.64 157.39 39.55 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.477 1.111 . . . . 0.0 109.595 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 48' ' ' VAL . . . . . 0.462 HG22 ' HB3' ' A' ' 31' ' ' CYS . 52.7 t . . . . . 0 C--N 1.325 -0.475 0 O-C-N 124.519 1.137 . . . . 0.0 109.317 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 52' ' ' SER . . . . . 0.413 ' HB2' ' N ' ' A' ' 30' ' ' GLY . 34.7 p . . . . . 0 N--CA 1.453 -0.311 0 N-CA-C 110.007 -0.368 . . . . 0.0 110.007 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . 0.639 HD13 ' CD ' ' A' ' 56' ' ' GLU . 0.1 OUTLIER -65.07 -19.99 66.26 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.535 1.147 . . . . 0.0 109.256 -179.964 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 54' ' ' SER . . . . . 0.54 ' O ' HG22 ' A' ' 57' ' ' VAL . 0.1 OUTLIER -94.55 -32.62 13.38 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.458 1.099 . . . . 0.0 110.01 -179.965 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -70.11 -35.5 74.18 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.507 1.129 . . . . 0.0 109.26 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . 0.639 ' CD ' HD13 ' A' ' 53' ' ' LEU . 6.4 pt-20 -59.79 -37.03 77.95 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.48 1.113 . . . . 0.0 110.312 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 57' ' ' VAL . . . . . 0.54 HG22 ' O ' ' A' ' 54' ' ' SER . 29.7 m -81.83 -21.35 10.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.509 1.131 . . . . 0.0 109.312 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 94.82 28.6 9.97 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.518 1.136 . . . . 0.0 111.041 -179.954 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 59' ' ' LEU . . . . . 0.485 ' HG ' HG23 ' A' ' 57' ' ' VAL . 14.9 mt -69.22 141.42 54.48 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.486 0.756 . . . . 0.0 109.298 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 18.5 mt-10 -132.71 169.4 16.73 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.487 1.117 . . . . 0.0 110.323 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 80.5 mt -62.97 132.18 28.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.49 1.119 . . . . 0.0 109.293 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 116.64 -31.75 5.81 Favored Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.462 1.101 . . . . 0.0 111.032 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 63' ' ' ASP . . . . . 0.429 ' CG ' HD13 ' A' ' 95' ' ' ILE . 75.3 m-20 -55.53 98.31 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.497 0.763 . . . . 0.0 109.308 179.93 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 64' ' ' GLN . . . . . 0.571 ' HB2' ' CD2' ' A' ' 44' ' ' PHE . 52.1 tt0 -83.13 130.51 35.12 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.49 1.119 . . . . 0.0 110.291 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 65' ' ' ILE . . . . . 0.731 HG23 HG23 ' A' ' 93' ' ' ILE . 19.0 mt -83.89 108.4 16.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.466 1.104 . . . . 0.0 109.289 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 66' ' ' VAL . . . . . 0.656 HG22 ' O ' ' A' ' 94' ' ' SER . 9.3 m -98.1 -24.66 4.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.493 1.121 . . . . 0.0 109.32 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . 0.429 ' HG2' ' N ' ' A' ' 68' ' ' VAL . 29.7 tt0 -150.24 152.97 35.4 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.481 1.113 . . . . 0.0 110.264 -179.974 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 68' ' ' VAL . . . . . 0.649 ' O ' HG23 ' A' ' 71' ' ' VAL . 98.9 t -152.26 112.09 0.41 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.482 1.114 . . . . 0.0 109.308 179.957 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 69' ' ' ASN . . . . . 0.813 HD22 HD23 ' A' ' 91' ' ' LEU . 1.1 t-20 58.15 31.47 20.79 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.533 1.145 . . . . 0.0 109.329 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 81.22 22.42 60.82 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.477 1.111 . . . . 0.0 110.995 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 71' ' ' VAL . . . . . 0.649 HG23 ' O ' ' A' ' 68' ' ' VAL . 60.8 t -99.07 158.66 3.56 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.537 0.787 . . . . 0.0 109.297 179.972 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 72' ' ' ASP . . . . . 0.446 ' OD1' ' ND2' ' A' ' 75' ' ' ASN . 1.9 t70 -93.43 86.66 5.32 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.536 1.148 . . . . 0.0 109.351 179.968 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 73' ' ' PHE . . . . . 0.913 ' CD1' HD12 ' A' ' 76' ' ' LEU . 4.3 m-85 -93.41 16.99 12.14 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.511 1.132 . . . . 0.0 110.987 -179.977 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -88.6 -1.79 58.25 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.53 1.144 . . . . 0.0 110.03 179.96 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 75' ' ' ASN . . . . . 0.446 ' ND2' ' OD1' ' A' ' 72' ' ' ASP . 2.0 p30 -154.62 24.35 0.46 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.532 1.145 . . . . 0.0 109.305 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 76' ' ' LEU . . . . . 0.913 HD12 ' CD1' ' A' ' 73' ' ' PHE . 7.0 mt -78.45 -167.99 1.23 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.525 1.141 . . . . 0.0 109.255 -179.967 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 16.8 t70 -134.65 175.08 9.87 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.548 1.155 . . . . 0.0 109.262 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 78' ' ' HIS . . . . . . . . . . . . . 66.1 t-80 -73.27 -6.87 48.82 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.49 1.119 . . . . 0.0 109.626 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 15.6 mmtt -108.21 -37.57 5.99 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.482 1.114 . . . . 0.0 109.309 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 80' ' ' GLU . . . . . 0.708 ' CB ' HD22 ' A' ' 76' ' ' LEU . 2.3 mm-40 -79.56 -36.31 38.47 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.536 1.148 . . . . 0.0 110.279 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 81' ' ' ALA . . . . . 0.5 ' HA ' HD13 ' A' ' 76' ' ' LEU . . . -72.45 -29.01 63.29 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.483 1.114 . . . . 0.0 109.304 -179.968 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 82' ' ' VAL . . . . . 0.747 HG12 ' CE ' ' A' ' 86' ' ' LYS . 18.0 t -80.84 -45.14 21.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.474 1.109 . . . . 0.0 109.34 179.961 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 83' ' ' ASN . . . . . 0.411 ' O ' ' N ' ' A' ' 87' ' ' SER . 43.4 t30 -59.88 -46.24 89.96 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.481 1.113 . . . . 0.0 109.306 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 84' ' ' VAL . . . . . 0.617 HG11 ' HE1' ' A' ' 73' ' ' PHE . 62.8 t -67.27 -34.44 69.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.471 1.107 . . . . 0.0 109.272 -179.951 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 85' ' ' LEU . . . . . 0.437 HD12 ' O ' ' A' ' 81' ' ' ALA . 23.6 mt -73.02 -34.9 66.63 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.506 1.129 . . . . 0.0 109.337 179.979 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 86' ' ' LYS . . . . . 0.747 ' CE ' HG12 ' A' ' 82' ' ' VAL . 0.0 OUTLIER -90.64 -3.74 57.3 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.491 1.119 . . . . 0.0 109.316 179.966 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 87' ' ' SER . . . . . 0.411 ' N ' ' O ' ' A' ' 83' ' ' ASN . 36.8 t -56.78 -66.05 0.51 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.477 1.11 . . . . 0.0 109.981 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 88' ' ' SER . . . . . 0.606 ' O ' HD11 ' A' ' 91' ' ' LEU . 0.3 OUTLIER -116.63 171.58 7.78 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.506 1.129 . . . . 0.0 109.981 -179.97 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 4.8 mmp_? -78.53 -60.71 2.26 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.465 1.103 . . . . 0.0 110.331 179.967 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 5.6 p -87.03 123.17 31.83 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.491 1.12 . . . . 0.0 110.028 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 91' ' ' LEU . . . . . 0.813 HD23 HD22 ' A' ' 69' ' ' ASN . 1.1 mt -140.71 144.89 35.85 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.491 1.119 . . . . 0.0 109.26 -179.964 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 92' ' ' THR . . . . . 0.575 ' OG1' ' CE2' ' A' ' 20' ' ' PHE . 9.6 m -100.81 101.58 12.46 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.481 1.113 . . . . 0.0 110.437 179.954 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 93' ' ' ILE . . . . . 0.731 HG23 HG23 ' A' ' 65' ' ' ILE . 14.2 mt -89.66 135.07 27.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.5 1.125 . . . . 0.0 109.265 -179.925 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 94' ' ' SER . . . . . 0.656 ' O ' HG22 ' A' ' 66' ' ' VAL . 0.3 OUTLIER -114.35 100.96 8.71 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.522 1.139 . . . . 0.0 109.975 -179.979 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 95' ' ' ILE . . . . . 0.535 HD11 ' HE3' ' A' ' 17' ' ' LYS . 1.2 pt -100.4 167.3 2.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.482 1.114 . . . . 0.0 109.285 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 96' ' ' VAL . . . . . 0.931 ' HB ' ' HB2' ' A' ' 99' ' ' ALA . 83.4 t -109.48 33.51 0.8 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.542 1.151 . . . . 0.0 109.272 -179.98 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 97' ' ' ALA . . . . . 0.423 ' H ' HD12 ' A' ' 95' ' ' ILE . . . 44.33 94.02 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.467 1.104 . . . . 0.0 109.286 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 98' ' ' ALA . . . . . 0.686 ' HB1' ' HG3' ' A' ' 101' ' ' ARG . . . 48.59 57.94 5.77 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.509 1.131 . . . . 0.0 109.318 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 99' ' ' ALA . . . . . 0.931 ' HB2' ' HB ' ' A' ' 96' ' ' VAL . . . -62.32 -63.86 1.11 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.434 1.084 . . . . 0.0 109.296 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . -106.96 59.15 0.39 Allowed Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.505 1.128 . . . . 0.0 110.971 -179.978 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 101' ' ' ARG . . . . . 0.686 ' HG3' ' HB1' ' A' ' 98' ' ' ALA . 0.1 OUTLIER -71.98 -21.93 61.51 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.523 0.778 . . . . 0.0 110.34 180.0 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -75.57 -17.86 59.93 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.512 1.132 . . . . 0.0 110.281 179.978 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 103' ' ' LEU . . . . . 0.54 HD11 ' HD3' ' A' ' 40' ' ' LYS . 26.2 mt -66.82 -14.61 62.86 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.522 1.139 . . . . 0.0 109.276 -179.971 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 104' ' ' PHE . . . . . . . . . . . . . 82.0 m-85 . . . . . 0 C--N 1.326 -0.44 0 O-C-N 124.488 1.118 . . . . 0.0 111.002 -179.959 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 19.7 mt-10 . . . . . 0 N--CA 1.453 -0.29 0 N-CA-C 110.311 -0.255 . . . . 0.0 110.311 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . 0.895 ' CE ' HD11 ' A' ' 95' ' ' ILE . 0.0 OUTLIER -112.21 148.4 34.15 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.478 1.111 . . . . 0.0 109.284 -179.981 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -98.19 121.07 39.67 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.505 1.128 . . . . 0.0 109.288 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 19' ' ' VAL . . . . . 0.441 ' O ' ' N ' ' A' ' 93' ' ' ILE . 0.6 OUTLIER -126.13 127.06 70.57 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.562 1.164 . . . . 0.0 109.26 -179.985 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 20' ' ' PHE . . . . . 0.598 ' CE2' ' OG1' ' A' ' 92' ' ' THR . 0.1 OUTLIER -106.53 115.68 30.62 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.555 1.16 . . . . 0.0 111.006 179.971 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 21' ' ' ILE . . . . . 0.507 ' CG1' HD12 ' A' ' 93' ' ' ILE . 17.9 mm -95.36 107.87 20.16 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.522 1.139 . . . . 0.0 109.316 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 22' ' ' SER . . . . . 0.488 ' O ' HD11 ' A' ' 53' ' ' LEU . 3.5 m -101.6 118.66 37.4 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.49 1.119 . . . . 0.0 109.968 -179.95 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 2.1 mp . . . . . 0 C--N 1.325 -0.482 0 O-C-N 124.484 1.115 . . . . 0.0 109.314 179.995 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.007 0 N-CA-C 110.971 -0.851 . . . . 0.0 110.971 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 31' ' ' CYS . . . . . 0.488 ' HB3' HG22 ' A' ' 48' ' ' VAL . 23.9 p -109.38 146.48 34.36 Favored 'General case' 0 C--N 1.324 -0.514 0 N-CA-C 108.308 -0.997 . . . . 0.0 108.308 -179.977 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -100.97 138.42 38.03 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.548 1.155 . . . . 0.0 109.999 180.0 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 33' ' ' ILE . . . . . 0.535 HD11 HG23 ' A' ' 82' ' ' VAL . 8.6 pt -110.45 145.43 16.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.512 1.132 . . . . 0.0 109.339 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 60.4 p -123.36 157.73 32.66 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.467 1.105 . . . . 0.0 109.986 -179.982 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 32.9 p -97.28 128.42 44.11 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.504 1.127 . . . . 0.0 110.013 179.964 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -78.59 167.46 53.02 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.507 1.129 . . . . 0.0 110.995 179.973 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 -170.0 0.71 Allowed 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.537 1.809 . . . . 0.0 111.016 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 38' ' ' ILE . . . . . 0.417 HG22 ' H ' ' A' ' 38' ' ' ILE . 0.8 OUTLIER -74.4 -30.49 26.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.526 1.141 . . . . 0.0 109.33 179.98 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 3.0 pt20 -78.15 -29.09 48.51 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.499 1.125 . . . . 0.0 110.288 -179.979 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 40' ' ' LYS . . . . . 0.604 ' HD3' HD11 ' A' ' 103' ' ' LEU . 26.9 tttp -137.1 62.01 36.87 Favored Pre-proline 0 C--N 1.324 -0.511 0 O-C-N 124.529 1.143 . . . . 0.0 109.32 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 41' ' ' PRO . . . . . 0.469 ' HD3' ' N ' ' A' ' 40' ' ' LYS . 18.3 Cg_endo -74.91 145.71 32.15 Favored 'Trans proline' 0 C--N 1.361 1.188 0 O-C-N 124.467 1.772 . . . . 0.0 111.013 179.975 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 153.08 -155.79 26.34 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.496 1.122 . . . . 0.0 111.011 179.943 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 43' ' ' ILE . . . . . 0.522 HG22 HD12 ' A' ' 65' ' ' ILE . 10.9 mm -129.14 118.69 47.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.559 0.8 . . . . 0.0 109.31 180.0 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 44' ' ' PHE . . . . . 0.567 ' CD2' ' HB2' ' A' ' 64' ' ' GLN . 1.8 m-85 -124.5 146.11 49.16 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.523 1.139 . . . . 0.0 111.011 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 13.4 mt -74.64 137.57 22.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.52 1.137 . . . . 0.0 109.278 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 1.2 p -105.22 -36.91 7.08 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.507 1.129 . . . . 0.0 110.014 179.968 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 58.6 t-80 -153.94 153.17 31.54 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.52 1.138 . . . . 0.0 109.559 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 48' ' ' VAL . . . . . 0.488 HG22 ' HB3' ' A' ' 31' ' ' CYS . 22.3 t . . . . . 0 C--N 1.326 -0.454 0 O-C-N 124.514 1.134 . . . . 0.0 109.274 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 52' ' ' SER . . . . . 0.414 ' N ' ' HB3' ' A' ' 55' ' ' ALA . 87.1 p . . . . . 0 N--CA 1.452 -0.334 0 N-CA-C 110.029 -0.36 . . . . 0.0 110.029 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . 0.667 HD13 ' CD ' ' A' ' 56' ' ' GLU . 0.0 OUTLIER -77.96 -23.85 48.32 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.55 1.156 . . . . 0.0 109.299 179.987 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 54' ' ' SER . . . . . 0.42 ' O ' HG22 ' A' ' 57' ' ' VAL . 0.0 OUTLIER -94.23 -26.59 16.58 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.492 1.12 . . . . 0.0 110.013 179.979 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 55' ' ' ALA . . . . . 0.414 ' HB3' ' N ' ' A' ' 52' ' ' SER . . . -75.01 -27.55 60.15 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.504 1.127 . . . . 0.0 109.277 -179.984 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . 0.667 ' CD ' HD13 ' A' ' 53' ' ' LEU . 6.4 pt-20 -70.62 -36.77 73.65 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.468 1.105 . . . . 0.0 110.348 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 57' ' ' VAL . . . . . 0.495 HG13 ' HG3' ' A' ' 56' ' ' GLU . 18.1 m -82.01 -23.59 9.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.528 1.142 . . . . 0.0 109.264 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 99.61 20.28 17.64 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.536 1.148 . . . . 0.0 111.018 -179.96 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 59' ' ' LEU . . . . . 0.41 ' HG ' ' CG2' ' A' ' 57' ' ' VAL . 13.7 mt -69.62 137.81 52.57 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.492 0.76 . . . . 0.0 109.274 179.991 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 24.7 mt-10 -133.66 173.13 11.85 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.474 1.109 . . . . 0.0 110.315 179.966 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 62.0 mt -59.6 133.96 24.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.54 1.15 . . . . 0.0 109.268 -179.967 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 62' ' ' GLY . . . . . 0.423 ' HA3' ' CG ' ' A' ' 101' ' ' ARG . . . 114.18 -34.08 5.12 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.512 1.133 . . . . 0.0 111.036 180.0 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 63' ' ' ASP . . . . . 0.429 ' CG ' HD13 ' A' ' 95' ' ' ILE . 75.5 m-20 -56.44 97.39 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.518 0.776 . . . . 0.0 109.29 179.945 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 64' ' ' GLN . . . . . 0.582 ' HB3' ' HB3' ' A' ' 99' ' ' ALA . 42.6 tt0 -83.32 134.0 34.94 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.529 1.143 . . . . 0.0 110.325 179.97 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 65' ' ' ILE . . . . . 0.778 HG23 HG23 ' A' ' 93' ' ' ILE . 11.7 mt -87.73 110.27 20.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.552 1.157 . . . . 0.0 109.255 -179.955 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 66' ' ' VAL . . . . . 0.746 HG22 ' O ' ' A' ' 94' ' ' SER . 17.9 m -99.72 -22.2 4.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.452 1.095 . . . . 0.0 109.291 179.974 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . 0.433 ' HG2' ' N ' ' A' ' 68' ' ' VAL . 30.8 tt0 -154.02 152.54 30.64 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.459 1.099 . . . . 0.0 110.293 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 68' ' ' VAL . . . . . 0.655 ' O ' HG23 ' A' ' 71' ' ' VAL . 94.3 t -151.44 117.54 0.67 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.535 1.147 . . . . 0.0 109.298 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 69' ' ' ASN . . . . . 0.9 ' ND2' HD23 ' A' ' 91' ' ' LEU . 1.2 t-20 56.41 20.86 5.04 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.544 1.153 . . . . 0.0 109.294 179.985 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 92.85 11.55 58.87 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.482 1.113 . . . . 0.0 111.047 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 71' ' ' VAL . . . . . 0.655 HG23 ' O ' ' A' ' 68' ' ' VAL . 54.6 t -87.37 154.34 3.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.491 0.759 . . . . 0.0 109.335 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -89.9 91.1 8.46 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.517 1.136 . . . . 0.0 109.269 -179.983 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 73' ' ' PHE . . . . . 0.793 ' CG ' HD12 ' A' ' 76' ' ' LEU . 4.6 m-85 -94.84 12.29 28.6 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.509 1.13 . . . . 0.0 111.012 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -73.65 -25.46 60.29 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.535 1.147 . . . . 0.0 110.007 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 55.7 m-80 -142.22 50.9 1.49 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.526 1.141 . . . . 0.0 109.32 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 76' ' ' LEU . . . . . 0.793 HD12 ' CG ' ' A' ' 73' ' ' PHE . 6.2 mt -94.49 -166.65 1.52 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.503 1.127 . . . . 0.0 109.309 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 21.0 t70 -132.06 170.48 14.89 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.476 1.11 . . . . 0.0 109.32 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 78' ' ' HIS . . . . . . . . . . . . . 65.2 t-80 -71.99 -6.83 44.95 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.525 1.141 . . . . 0.0 109.623 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 8.1 mmtt -108.12 -36.03 6.42 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.5 1.125 . . . . 0.0 109.287 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 80' ' ' GLU . . . . . 0.701 ' CB ' HD22 ' A' ' 76' ' ' LEU . 2.8 mm-40 -79.67 -38.75 32.9 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.528 1.142 . . . . 0.0 110.296 179.968 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 81' ' ' ALA . . . . . 0.436 ' HA ' HD13 ' A' ' 76' ' ' LEU . . . -70.31 -25.12 63.17 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.477 1.111 . . . . 0.0 109.332 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 82' ' ' VAL . . . . . 0.585 HG12 ' HD2' ' A' ' 86' ' ' LYS . 24.6 t -86.55 -40.09 13.9 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.466 1.104 . . . . 0.0 109.303 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 83' ' ' ASN . . . . . 0.448 ' HA ' ' CD ' ' A' ' 86' ' ' LYS . 12.1 t30 -64.91 -43.72 91.93 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.482 1.113 . . . . 0.0 109.256 -179.98 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 84' ' ' VAL . . . . . 0.596 HG11 ' HE1' ' A' ' 73' ' ' PHE . 77.0 t -70.86 -27.78 31.49 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.544 1.152 . . . . 0.0 109.334 179.958 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 16.9 mt -80.97 -37.13 29.85 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.415 1.072 . . . . 0.0 109.302 179.978 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 86' ' ' LYS . . . . . 0.585 ' HD2' HG12 ' A' ' 82' ' ' VAL . 0.0 OUTLIER -89.46 -1.36 58.02 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.514 1.134 . . . . 0.0 109.281 -179.993 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -59.39 -65.77 0.62 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.543 1.152 . . . . 0.0 110.0 -179.978 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 88' ' ' SER . . . . . 0.688 ' O ' HD11 ' A' ' 91' ' ' LEU . 0.3 OUTLIER -119.48 172.16 7.84 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.528 1.142 . . . . 0.0 110.005 179.969 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 16.9 mmt180 -81.62 -60.47 2.24 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.567 1.167 . . . . 0.0 110.306 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -82.86 115.21 21.64 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.469 1.106 . . . . 0.0 110.024 179.969 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 91' ' ' LEU . . . . . 0.9 HD23 ' ND2' ' A' ' 69' ' ' ASN . 1.2 mt -138.73 145.16 39.93 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.517 1.135 . . . . 0.0 109.316 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 92' ' ' THR . . . . . 0.598 ' OG1' ' CE2' ' A' ' 20' ' ' PHE . 31.9 m -101.5 100.98 11.49 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.512 1.133 . . . . 0.0 110.389 -179.972 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 93' ' ' ILE . . . . . 0.778 HG23 HG23 ' A' ' 65' ' ' ILE . 13.5 mt -89.51 135.01 27.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.462 1.101 . . . . 0.0 109.36 179.977 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 94' ' ' SER . . . . . 0.746 ' O ' HG22 ' A' ' 66' ' ' VAL . 0.4 OUTLIER -113.82 99.05 7.4 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.475 1.109 . . . . 0.0 110.019 -179.972 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 95' ' ' ILE . . . . . 0.895 HD11 ' CE ' ' A' ' 17' ' ' LYS . 1.3 pt -100.4 169.77 1.62 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.509 1.13 . . . . 0.0 109.283 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 96' ' ' VAL . . . . . 0.876 ' HB ' ' HB2' ' A' ' 99' ' ' ALA . 78.3 t -109.7 32.74 0.91 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.521 1.138 . . . . 0.0 109.303 179.98 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . 45.21 93.79 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.482 1.114 . . . . 0.0 109.311 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 98' ' ' ALA . . . . . 0.711 ' HB1' ' HG3' ' A' ' 101' ' ' ARG . . . 49.55 56.79 7.31 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.52 1.138 . . . . 0.0 109.286 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 99' ' ' ALA . . . . . 0.876 ' HB2' ' HB ' ' A' ' 96' ' ' VAL . . . -60.34 -69.85 0.2 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.519 1.137 . . . . 0.0 109.33 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . -101.52 57.91 0.66 Allowed Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.502 1.126 . . . . 0.0 110.987 179.972 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 101' ' ' ARG . . . . . 0.711 ' HG3' ' HB1' ' A' ' 98' ' ' ALA . 0.0 OUTLIER -70.0 -25.48 63.62 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.484 0.755 . . . . 0.0 110.269 -179.995 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -70.33 -21.53 62.9 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.488 1.118 . . . . 0.0 110.329 179.965 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 103' ' ' LEU . . . . . 0.604 HD11 ' HD3' ' A' ' 40' ' ' LYS . 60.5 mt -61.22 -21.36 63.79 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.48 1.112 . . . . 0.0 109.338 -179.983 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 104' ' ' PHE . . . . . . . . . . . . . 78.4 m-85 . . . . . 0 C--N 1.325 -0.478 0 O-C-N 124.461 1.1 . . . . 0.0 110.987 -179.989 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . 0.497 ' HG3' HG22 ' A' ' 96' ' ' VAL . 17.6 mt-10 . . . . . 0 N--CA 1.453 -0.309 0 N-CA-C 110.298 -0.26 . . . . 0.0 110.298 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -115.01 143.7 44.77 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.432 1.082 . . . . 0.0 109.276 -179.99 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -90.21 123.39 33.98 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.499 1.125 . . . . 0.0 109.254 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 2.4 m -126.56 127.74 70.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.545 1.153 . . . . 0.0 109.3 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 20' ' ' PHE . . . . . 0.455 ' CD1' ' O ' ' A' ' 91' ' ' LEU . 0.1 OUTLIER -105.58 117.79 34.92 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.507 1.129 . . . . 0.0 111.011 -179.969 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 21' ' ' ILE . . . . . 0.761 HG23 ' HG ' ' A' ' 53' ' ' LEU . 11.8 mm -107.86 108.09 24.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.5 1.125 . . . . 0.0 109.275 -179.966 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 26.2 t -104.45 118.69 37.23 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.509 1.13 . . . . 0.0 110.008 179.966 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 3.3 mm? . . . . . 0 C--N 1.325 -0.48 0 O-C-N 124.528 1.142 . . . . 0.0 109.319 179.983 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.939 0 N-CA-C 111.022 -0.831 . . . . 0.0 111.022 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 29.7 p -102.93 148.12 26.07 Favored 'General case' 0 C--N 1.325 -0.468 0 N-CA-C 108.289 -1.004 . . . . 0.0 108.289 -179.964 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -104.34 139.21 39.64 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.483 1.115 . . . . 0.0 110.02 -179.961 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 33' ' ' ILE . . . . . 0.719 HD11 ' CG2' ' A' ' 82' ' ' VAL . 13.9 pt -107.43 147.12 12.83 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.504 1.127 . . . . 0.0 109.288 -179.983 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 51.8 m -139.19 145.55 39.44 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.483 1.114 . . . . 0.0 109.998 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 72.4 m -88.95 137.89 31.91 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.537 1.148 . . . . 0.0 109.981 -179.961 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -77.97 178.35 52.45 Favored Glycine 0 CA--C 1.529 0.953 0 O-C-N 124.494 1.121 . . . . 0.0 111.048 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 -170.85 0.84 Allowed 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.463 1.77 . . . . 0.0 111.031 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 5.1 tt -73.9 -29.87 26.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.521 1.138 . . . . 0.0 109.272 -179.979 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 16.5 pt20 -77.83 -30.94 51.31 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.468 1.105 . . . . 0.0 110.26 -179.951 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 40' ' ' LYS . . . . . 0.496 ' HG2' HD11 ' A' ' 103' ' ' LEU . 0.5 OUTLIER -136.64 62.01 39.76 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.557 1.161 . . . . 0.0 109.255 -179.964 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 41' ' ' PRO . . . . . 0.461 ' HD3' ' N ' ' A' ' 40' ' ' LYS . 18.4 Cg_endo -74.98 146.47 32.79 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.509 1.794 . . . . 0.0 111.025 179.954 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 156.09 -165.9 32.89 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.516 1.135 . . . . 0.0 110.992 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 43' ' ' ILE . . . . . 0.528 HG22 HD12 ' A' ' 65' ' ' ILE . 23.5 mm -117.29 111.5 35.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.511 0.771 . . . . 0.0 109.327 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 44' ' ' PHE . . . . . 0.578 ' CD2' ' HB2' ' A' ' 64' ' ' GLN . 1.5 m-85 -124.15 140.05 53.34 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.511 1.132 . . . . 0.0 111.016 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 45' ' ' ILE . . . . . 0.447 HG21 ' CG2' ' A' ' 48' ' ' VAL . 12.3 mt -67.32 138.11 23.44 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.529 1.143 . . . . 0.0 109.316 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -100.58 -37.42 8.79 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.483 1.114 . . . . 0.0 109.96 -179.956 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 65.3 t-80 -150.91 164.11 37.09 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.501 1.126 . . . . 0.0 109.571 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 48' ' ' VAL . . . . . 0.447 ' CG2' HG21 ' A' ' 45' ' ' ILE . 84.0 t . . . . . 0 C--N 1.324 -0.503 0 O-C-N 124.486 1.116 . . . . 0.0 109.306 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 18.1 p . . . . . 0 N--CA 1.453 -0.281 0 N-CA-C 109.99 -0.374 . . . . 0.0 109.99 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . 0.761 ' HG ' HG23 ' A' ' 21' ' ' ILE . 12.2 tp -87.26 -24.31 24.41 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.564 1.165 . . . . 0.0 109.308 179.959 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 54' ' ' SER . . . . . 0.604 ' O ' HG22 ' A' ' 57' ' ' VAL . 0.0 OUTLIER -95.15 -29.77 14.38 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.492 1.12 . . . . 0.0 109.98 -179.989 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -71.78 -17.35 62.18 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.508 1.13 . . . . 0.0 109.278 -179.977 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . 0.499 ' CG ' ' O ' ' A' ' 53' ' ' LEU . 1.9 pt-20 -80.06 -34.21 38.33 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.524 1.14 . . . . 0.0 110.322 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 57' ' ' VAL . . . . . 0.604 HG22 ' O ' ' A' ' 54' ' ' SER . 18.9 m -81.31 -22.11 10.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.497 1.123 . . . . 0.0 109.332 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 104.62 20.65 9.88 Favored Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.479 1.112 . . . . 0.0 111.066 -179.937 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 59' ' ' LEU . . . . . 0.511 HD23 ' OD2' ' A' ' 63' ' ' ASP . 20.7 mt -71.71 144.58 49.26 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.453 0.737 . . . . 0.0 109.315 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 36.1 mt-10 -140.22 173.16 11.79 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.523 1.139 . . . . 0.0 110.298 179.982 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 15.8 mt -64.01 125.84 21.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.499 1.125 . . . . 0.0 109.301 -179.946 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 62' ' ' GLY . . . . . 0.44 ' O ' ' N ' ' A' ' 64' ' ' GLN . . . 120.03 -38.58 2.72 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.489 1.118 . . . . 0.0 110.988 179.974 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 63' ' ' ASP . . . . . 0.511 ' OD2' HD23 ' A' ' 59' ' ' LEU . 73.2 m-20 -43.99 96.94 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.47 0.747 . . . . 0.0 109.331 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 64' ' ' GLN . . . . . 0.653 ' HB3' ' HB3' ' A' ' 99' ' ' ALA . 49.0 tt0 -83.25 120.36 25.72 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.489 1.118 . . . . 0.0 110.289 -179.968 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 65' ' ' ILE . . . . . 0.813 HG23 HG23 ' A' ' 93' ' ' ILE . 38.9 mt -74.51 107.95 5.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.544 1.152 . . . . 0.0 109.301 179.974 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 66' ' ' VAL . . . . . 0.754 HG22 ' O ' ' A' ' 94' ' ' SER . 15.7 m -96.46 -24.64 4.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.493 1.121 . . . . 0.0 109.296 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . 0.419 ' HA ' ' O ' ' A' ' 71' ' ' VAL . 30.4 tt0 -151.47 154.96 37.59 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.538 1.149 . . . . 0.0 110.243 -179.986 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 68' ' ' VAL . . . . . 0.695 ' O ' HG23 ' A' ' 71' ' ' VAL . 95.7 t -152.28 124.29 1.08 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.478 1.111 . . . . 0.0 109.308 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 69' ' ' ASN . . . . . 0.863 ' ND2' HD23 ' A' ' 91' ' ' LEU . 1.1 t-20 45.78 34.8 1.95 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.521 1.138 . . . . 0.0 109.332 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 75.23 34.61 50.98 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.529 1.143 . . . . 0.0 110.986 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 71' ' ' VAL . . . . . 0.695 HG23 ' O ' ' A' ' 68' ' ' VAL . 58.9 t -111.0 147.45 15.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.52 0.777 . . . . 0.0 109.292 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 1.7 t0 -81.88 86.99 6.41 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.539 1.149 . . . . 0.0 109.307 179.976 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 73' ' ' PHE . . . . . 0.821 ' CD1' HD12 ' A' ' 76' ' ' LEU . 3.8 m-85 -92.3 18.88 7.66 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.471 1.107 . . . . 0.0 111.006 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -73.78 -42.02 61.6 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.511 1.132 . . . . 0.0 109.99 -179.971 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -129.53 50.83 2.12 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.535 1.147 . . . . 0.0 109.258 -179.99 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 76' ' ' LEU . . . . . 0.821 HD12 ' CD1' ' A' ' 73' ' ' PHE . 5.9 mt -89.56 -166.3 1.56 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.522 1.139 . . . . 0.0 109.302 179.967 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 33.9 t70 -131.47 169.58 15.87 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.528 1.143 . . . . 0.0 109.278 -179.984 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 78' ' ' HIS . . . . . . . . . . . . . 58.8 t-80 -70.98 -7.02 43.2 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.464 1.102 . . . . 0.0 109.625 179.966 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -108.89 -37.53 5.83 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.498 1.124 . . . . 0.0 109.291 179.97 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 80' ' ' GLU . . . . . 0.712 ' CB ' HD22 ' A' ' 76' ' ' LEU . 2.3 mt-10 -77.1 -37.9 53.34 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.529 1.143 . . . . 0.0 110.291 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 81' ' ' ALA . . . . . 0.497 ' HA ' HD13 ' A' ' 76' ' ' LEU . . . -69.9 -27.7 65.01 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.496 1.123 . . . . 0.0 109.278 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 82' ' ' VAL . . . . . 0.856 HG12 ' CE ' ' A' ' 86' ' ' LYS . 45.4 t -88.1 -36.83 9.83 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.494 1.121 . . . . 0.0 109.301 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 41.2 t30 -64.71 -40.47 95.41 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.532 1.145 . . . . 0.0 109.334 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 84' ' ' VAL . . . . . 0.534 HG11 ' HE1' ' A' ' 73' ' ' PHE . 77.9 t -74.47 -32.83 31.33 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.497 1.123 . . . . 0.0 109.312 179.968 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 85' ' ' LEU . . . . . 0.524 ' CD2' HG11 ' A' ' 68' ' ' VAL . 18.7 mt -75.29 -38.03 60.56 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.44 1.087 . . . . 0.0 109.282 -179.977 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 86' ' ' LYS . . . . . 0.856 ' CE ' HG12 ' A' ' 82' ' ' VAL . 1.8 ptpt -86.06 -2.61 58.48 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.479 1.112 . . . . 0.0 109.301 -179.977 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 38.4 t -53.75 -68.48 0.17 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.478 1.111 . . . . 0.0 110.007 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -117.04 -173.51 2.41 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.537 1.148 . . . . 0.0 110.031 179.986 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 13.1 mmt85 -90.84 -53.38 4.42 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.491 1.119 . . . . 0.0 110.299 -179.965 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -88.84 113.56 24.51 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.471 1.107 . . . . 0.0 109.994 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 91' ' ' LEU . . . . . 0.863 HD23 ' ND2' ' A' ' 69' ' ' ASN . 1.0 OUTLIER -134.02 147.54 50.97 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.527 1.142 . . . . 0.0 109.307 179.996 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 15.9 m -106.96 101.03 10.49 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.499 1.125 . . . . 0.0 110.358 -179.971 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 93' ' ' ILE . . . . . 0.813 HG23 HG23 ' A' ' 65' ' ' ILE . 14.0 mt -89.51 135.13 26.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.459 1.1 . . . . 0.0 109.333 179.963 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 94' ' ' SER . . . . . 0.754 ' O ' HG22 ' A' ' 66' ' ' VAL . 0.3 OUTLIER -112.95 101.23 9.29 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.525 1.141 . . . . 0.0 110.035 179.988 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 95' ' ' ILE . . . . . 0.531 HD12 ' H ' ' A' ' 97' ' ' ALA . 1.1 pt -100.5 169.32 1.7 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.527 0 O-C-N 124.491 1.12 . . . . 0.0 109.293 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 96' ' ' VAL . . . . . 0.854 ' HB ' ' HB2' ' A' ' 99' ' ' ALA . 70.5 t -114.05 34.88 0.96 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.505 1.128 . . . . 0.0 109.319 179.974 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 97' ' ' ALA . . . . . 0.531 ' H ' HD12 ' A' ' 95' ' ' ILE . . . 46.76 94.84 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.552 1.157 . . . . 0.0 109.274 -179.98 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . 43.39 59.67 2.9 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.485 1.115 . . . . 0.0 109.279 179.944 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 99' ' ' ALA . . . . . 0.854 ' HB2' ' HB ' ' A' ' 96' ' ' VAL . . . -61.41 -65.47 0.69 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.523 1.139 . . . . 0.0 109.32 179.961 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . -108.93 59.82 0.34 Allowed Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.517 1.136 . . . . 0.0 111.021 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -74.76 -17.36 60.65 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.45 0.735 . . . . 0.0 110.303 179.986 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 9.4 pt-20 -68.62 -34.46 75.8 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.477 1.111 . . . . 0.0 110.313 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 103' ' ' LEU . . . . . 0.496 HD11 ' HG2' ' A' ' 40' ' ' LYS . 81.3 mt -45.63 -38.27 6.48 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.488 1.118 . . . . 0.0 109.281 -179.988 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 104' ' ' PHE . . . . . . . . . . . . . 16.7 m-85 . . . . . 0 C--N 1.324 -0.522 0 O-C-N 124.525 1.141 . . . . 0.0 110.96 -179.968 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 22.3 mt-10 . . . . . 0 N--CA 1.453 -0.297 0 N-CA-C 110.338 -0.245 . . . . 0.0 110.338 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . 0.598 ' HE3' HD11 ' A' ' 95' ' ' ILE . 0.4 OUTLIER -113.58 140.89 47.8 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.523 1.139 . . . . 0.0 109.31 -179.978 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . 0.464 ' HD3' ' CG2' ' A' ' 92' ' ' THR . 6.0 ttmm -91.49 123.15 34.69 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.486 1.116 . . . . 0.0 109.276 -179.97 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 19' ' ' VAL . . . . . 0.46 HG23 ' HB ' ' A' ' 93' ' ' ILE . 0.3 OUTLIER -121.64 117.02 51.22 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.45 1.094 . . . . 0.0 109.317 179.962 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -94.26 115.27 27.5 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.523 1.14 . . . . 0.0 111.024 -179.973 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 21' ' ' ILE . . . . . 0.518 HG23 ' HG ' ' A' ' 53' ' ' LEU . 18.2 mm -109.03 110.5 32.33 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 O-C-N 124.491 1.12 . . . . 0.0 109.343 179.984 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 10.7 p -111.92 121.1 44.11 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.448 1.093 . . . . 0.0 109.965 -179.963 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.402 HD22 ' N ' ' A' ' 23' ' ' LEU . 2.6 mm? . . . . . 0 C--N 1.325 -0.497 0 O-C-N 124.549 1.156 . . . . 0.0 109.302 179.979 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.933 0 N-CA-C 111.015 -0.834 . . . . 0.0 111.015 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 11.2 p -121.48 140.45 52.17 Favored 'General case' 0 C--N 1.325 -0.458 0 N-CA-C 108.341 -0.985 . . . . 0.0 108.341 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -94.97 141.87 28.14 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.533 1.146 . . . . 0.0 109.979 -179.972 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 33' ' ' ILE . . . . . 0.536 HD11 HG23 ' A' ' 82' ' ' VAL . 8.2 pt -117.4 145.57 23.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.512 1.133 . . . . 0.0 109.308 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -130.88 169.57 15.59 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.51 1.131 . . . . 0.0 110.002 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 11.4 p -106.56 125.94 51.63 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.502 1.126 . . . . 0.0 110.001 179.982 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -70.79 172.13 43.68 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.492 1.12 . . . . 0.0 111.002 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.06 -172.43 1.26 Allowed 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.488 1.783 . . . . 0.0 111.008 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 0.7 OUTLIER -72.45 -30.02 33.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.456 1.098 . . . . 0.0 109.33 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 13.3 pt20 -77.83 -30.61 51.16 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.549 1.156 . . . . 0.0 110.337 179.95 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 40' ' ' LYS . . . . . 0.468 ' N ' ' HD3' ' A' ' 41' ' ' PRO . 5.3 tttt -136.62 61.82 38.91 Favored Pre-proline 0 C--N 1.324 -0.516 0 O-C-N 124.481 1.113 . . . . 0.0 109.291 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 41' ' ' PRO . . . . . 0.468 ' HD3' ' N ' ' A' ' 40' ' ' LYS . 18.0 Cg_endo -75.04 145.83 31.77 Favored 'Trans proline' 0 C--N 1.361 1.198 0 O-C-N 124.452 1.764 . . . . 0.0 110.949 -179.959 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 154.78 -158.32 28.21 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.511 1.132 . . . . 0.0 111.005 -179.987 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 43' ' ' ILE . . . . . 0.424 HG22 HD12 ' A' ' 65' ' ' ILE . 12.2 mm -123.44 108.47 21.1 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 O-C-N 124.46 0.741 . . . . 0.0 109.276 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 44' ' ' PHE . . . . . 0.577 ' CD2' HD12 ' A' ' 103' ' ' LEU . 3.2 m-85 -118.36 139.33 51.53 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.534 1.146 . . . . 0.0 111.003 179.977 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 45' ' ' ILE . . . . . 0.52 ' O ' ' CZ ' ' A' ' 104' ' ' PHE . 19.9 mt -67.51 141.49 17.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.467 1.104 . . . . 0.0 109.3 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 46' ' ' SER . . . . . 0.471 ' HA ' ' CE2' ' A' ' 104' ' ' PHE . 0.7 OUTLIER -105.49 -37.19 6.89 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.544 1.153 . . . . 0.0 109.999 179.998 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 47' ' ' HIS . . . . . 0.417 ' ND1' ' N ' ' A' ' 48' ' ' VAL . 56.4 t-80 -152.87 165.38 35.62 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.478 1.111 . . . . 0.0 109.583 179.96 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 48' ' ' VAL . . . . . 0.417 ' N ' ' ND1' ' A' ' 47' ' ' HIS . 80.8 t . . . . . 0 C--N 1.325 -0.477 0 O-C-N 124.49 1.118 . . . . 0.0 109.324 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 76.8 p . . . . . 0 N--CA 1.453 -0.29 0 N-CA-C 109.977 -0.379 . . . . 0.0 109.977 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . 0.518 ' HG ' HG23 ' A' ' 21' ' ' ILE . 48.9 tp -89.66 -17.52 28.22 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.471 1.107 . . . . 0.0 109.307 -179.978 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 54' ' ' SER . . . . . 0.908 ' O ' HG22 ' A' ' 57' ' ' VAL . 0.0 OUTLIER -95.02 -38.77 10.49 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.465 1.103 . . . . 0.0 109.991 179.989 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -62.75 -30.31 71.34 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.531 1.144 . . . . 0.0 109.325 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . 0.513 ' HG3' HG13 ' A' ' 57' ' ' VAL . 2.4 pt-20 -65.62 -33.27 75.5 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.546 1.154 . . . . 0.0 110.347 179.976 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 57' ' ' VAL . . . . . 0.908 HG22 ' O ' ' A' ' 54' ' ' SER . 8.0 m -84.38 -21.03 8.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.517 1.136 . . . . 0.0 109.28 179.971 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 105.37 20.55 9.53 Favored Glycine 0 CA--C 1.529 0.964 0 O-C-N 124.554 1.159 . . . . 0.0 111.014 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 59' ' ' LEU . . . . . 0.743 HD23 ' OD2' ' A' ' 63' ' ' ASP . 11.2 mt -71.89 139.17 48.67 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.503 0.766 . . . . 0.0 109.297 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 51.1 mt-10 -145.23 172.99 12.33 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.494 1.121 . . . . 0.0 110.298 -179.974 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 30.2 mt -61.75 129.59 24.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.472 1.108 . . . . 0.0 109.282 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 113.54 -29.04 8.14 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.478 1.111 . . . . 0.0 110.977 179.957 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 63' ' ' ASP . . . . . 0.743 ' OD2' HD23 ' A' ' 59' ' ' LEU . 9.0 m-20 -60.25 97.36 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.486 0.756 . . . . 0.0 109.274 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 64' ' ' GLN . . . . . 0.566 ' HB2' ' CD2' ' A' ' 44' ' ' PHE . 46.5 tt0 -83.19 131.3 35.12 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.446 1.091 . . . . 0.0 110.304 179.967 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 65' ' ' ILE . . . . . 0.58 ' CG2' ' CG2' ' A' ' 68' ' ' VAL . 59.8 mt -80.76 109.43 15.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.503 1.127 . . . . 0.0 109.315 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 66' ' ' VAL . . . . . 0.918 HG22 ' O ' ' A' ' 94' ' ' SER . 12.7 m -98.15 -23.71 4.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.52 1.138 . . . . 0.0 109.294 -179.963 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . 0.42 ' HA ' ' O ' ' A' ' 71' ' ' VAL . 32.3 tt0 -153.52 153.45 32.45 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.465 1.103 . . . . 0.0 110.262 -179.963 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 68' ' ' VAL . . . . . 0.58 ' CG2' ' CG2' ' A' ' 65' ' ' ILE . 67.3 t -151.88 117.48 0.63 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.519 1.137 . . . . 0.0 109.314 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 69' ' ' ASN . . . . . 0.785 HD22 HD23 ' A' ' 91' ' ' LEU . 2.0 t-20 57.15 18.29 4.04 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.525 1.141 . . . . 0.0 109.335 -179.955 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 95.81 5.12 60.05 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.497 1.123 . . . . 0.0 110.962 179.977 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 71' ' ' VAL . . . . . 0.423 HG23 ' O ' ' A' ' 68' ' ' VAL . 59.0 t -83.46 143.25 12.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.469 0.746 . . . . 0.0 109.348 179.952 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 2.2 t70 -80.43 87.9 5.63 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.512 1.133 . . . . 0.0 109.341 179.986 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 73' ' ' PHE . . . . . 0.728 ' CG ' HD12 ' A' ' 76' ' ' LEU . 2.9 m-85 -86.14 41.21 0.91 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.525 1.14 . . . . 0.0 111.021 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 3.3 t -82.84 -72.15 0.46 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.502 1.126 . . . . 0.0 109.957 -179.981 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 3.3 m-80 -103.95 47.11 0.89 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.469 1.106 . . . . 0.0 109.292 -179.976 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 76' ' ' LEU . . . . . 0.728 HD12 ' CG ' ' A' ' 73' ' ' PHE . 6.7 mt -80.44 -167.21 1.26 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.463 1.102 . . . . 0.0 109.299 179.968 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 31.9 t70 -134.68 170.87 15.17 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.494 1.121 . . . . 0.0 109.34 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 78' ' ' HIS . . . . . . . . . . . . . 60.2 t-80 -72.31 -5.54 36.88 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.507 1.129 . . . . 0.0 109.621 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 5.5 mttt -109.41 -36.39 6.01 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.489 1.118 . . . . 0.0 109.298 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 80' ' ' GLU . . . . . 0.701 ' CB ' HD22 ' A' ' 76' ' ' LEU . 1.8 mm-40 -77.54 -36.83 51.92 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.482 1.114 . . . . 0.0 110.271 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -73.07 -29.71 63.15 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.474 1.109 . . . . 0.0 109.277 -179.986 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 82' ' ' VAL . . . . . 0.697 HG12 ' HE3' ' A' ' 86' ' ' LYS . 3.0 t -81.38 -46.75 20.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.446 1.091 . . . . 0.0 109.324 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 18.3 t30 -57.85 -41.18 81.83 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.494 1.121 . . . . 0.0 109.303 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 84' ' ' VAL . . . . . 0.6 HG23 ' O ' ' A' ' 80' ' ' GLU . 69.9 t -72.99 -31.0 33.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.49 1.119 . . . . 0.0 109.267 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 85' ' ' LEU . . . . . 0.402 ' CD2' HG11 ' A' ' 68' ' ' VAL . 21.6 mt -77.17 -31.18 55.3 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.525 1.14 . . . . 0.0 109.266 -179.975 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 86' ' ' LYS . . . . . 0.697 ' HE3' HG12 ' A' ' 82' ' ' VAL . 8.3 ptpt -95.51 -2.59 48.28 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.487 1.117 . . . . 0.0 109.331 -179.976 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -53.56 -62.52 1.6 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.449 1.093 . . . . 0.0 109.984 -179.982 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 88' ' ' SER . . . . . 0.486 ' O ' HD11 ' A' ' 91' ' ' LEU . 2.3 t -122.8 -178.67 4.0 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.536 1.147 . . . . 0.0 110.021 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 9.5 mmt180 -85.47 -56.33 3.57 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.547 1.155 . . . . 0.0 110.322 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -85.94 119.01 25.78 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.48 1.113 . . . . 0.0 109.984 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 91' ' ' LEU . . . . . 0.785 HD23 HD22 ' A' ' 69' ' ' ASN . 1.0 OUTLIER -136.63 148.95 47.72 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.533 1.145 . . . . 0.0 109.325 179.997 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 92' ' ' THR . . . . . 0.464 ' CG2' ' HD3' ' A' ' 18' ' ' LYS . 9.7 m -109.87 100.46 9.43 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.492 1.12 . . . . 0.0 110.394 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 93' ' ' ILE . . . . . 0.477 HD12 ' CG1' ' A' ' 21' ' ' ILE . 12.0 mt -89.19 137.9 20.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.467 1.104 . . . . 0.0 109.276 -179.981 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 94' ' ' SER . . . . . 0.918 ' O ' HG22 ' A' ' 66' ' ' VAL . 0.3 OUTLIER -119.75 101.06 7.63 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.497 1.123 . . . . 0.0 109.991 -179.998 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 95' ' ' ILE . . . . . 0.598 HD11 ' HE3' ' A' ' 17' ' ' LYS . 1.1 pt -100.27 169.82 1.6 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.5 1.125 . . . . 0.0 109.296 -179.979 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 96' ' ' VAL . . . . . 0.813 ' HB ' ' HB2' ' A' ' 99' ' ' ALA . 73.4 t -109.11 31.81 0.99 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.481 1.113 . . . . 0.0 109.36 179.974 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 97' ' ' ALA . . . . . 0.53 ' H ' HD12 ' A' ' 95' ' ' ILE . . . 44.97 94.26 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.493 1.121 . . . . 0.0 109.308 -179.978 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 98' ' ' ALA . . . . . 0.698 ' HB1' ' HG3' ' A' ' 101' ' ' ARG . . . 50.94 56.53 7.86 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.506 1.129 . . . . 0.0 109.324 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 99' ' ' ALA . . . . . 0.813 ' HB2' ' HB ' ' A' ' 96' ' ' VAL . . . -59.99 -75.46 0.06 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.467 1.104 . . . . 0.0 109.34 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . -96.39 55.93 1.46 Allowed Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.509 1.131 . . . . 0.0 111.023 179.944 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 101' ' ' ARG . . . . . 0.698 ' HG3' ' HB1' ' A' ' 98' ' ' ALA . 0.0 OUTLIER -65.7 -19.97 66.11 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.509 0.77 . . . . 0.0 110.31 179.997 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 1.8 pt-20 -75.9 -6.44 50.88 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.496 1.123 . . . . 0.0 110.307 179.959 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 103' ' ' LEU . . . . . 0.577 HD12 ' CD2' ' A' ' 44' ' ' PHE . 76.8 mt -82.44 -11.86 58.24 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.433 1.083 . . . . 0.0 109.304 -179.972 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 104' ' ' PHE . . . . . 0.52 ' CZ ' ' O ' ' A' ' 45' ' ' ILE . 21.1 m-85 . . . . . 0 C--N 1.325 -0.462 0 O-C-N 124.53 1.144 . . . . 0.0 110.972 179.988 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . 0.475 ' HG3' HG22 ' A' ' 96' ' ' VAL . 20.1 mt-10 . . . . . 0 N--CA 1.454 -0.266 0 N-CA-C 110.264 -0.273 . . . . 0.0 110.264 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -111.21 144.12 40.88 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.482 1.113 . . . . 0.0 109.291 179.968 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . 0.636 ' HD3' HG23 ' A' ' 92' ' ' THR . 1.7 ttmm -97.85 119.52 36.6 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.498 1.124 . . . . 0.0 109.299 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 19' ' ' VAL . . . . . 0.482 HG23 ' HB ' ' A' ' 93' ' ' ILE . 2.0 m -120.0 120.44 63.12 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.479 1.112 . . . . 0.0 109.319 179.966 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 20' ' ' PHE . . . . . 0.426 ' CD1' ' O ' ' A' ' 91' ' ' LEU . 0.1 OUTLIER -97.83 114.53 26.6 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.53 1.143 . . . . 0.0 110.978 -179.995 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 21' ' ' ILE . . . . . 0.568 HG13 HD12 ' A' ' 93' ' ' ILE . 5.2 mm -102.95 125.74 57.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.534 1.146 . . . . 0.0 109.301 179.968 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 71.6 m -118.01 128.78 55.11 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.44 1.088 . . . . 0.0 110.027 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 4.5 mm? . . . . . 0 C--N 1.325 -0.471 0 O-C-N 124.489 1.118 . . . . 0.0 109.273 -179.974 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.001 0 N-CA-C 110.996 -0.842 . . . . 0.0 110.996 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 31' ' ' CYS . . . . . 0.5 ' HB3' HG22 ' A' ' 48' ' ' VAL . 25.8 p -108.3 155.71 20.19 Favored 'General case' 0 C--N 1.325 -0.475 0 N-CA-C 108.293 -1.003 . . . . 0.0 108.293 -179.977 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -114.1 142.32 46.35 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.504 1.128 . . . . 0.0 109.96 -179.954 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 33' ' ' ILE . . . . . 0.467 HD11 HG23 ' A' ' 82' ' ' VAL . 10.2 pt -110.27 145.24 17.0 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.51 1.131 . . . . 0.0 109.329 179.956 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 34' ' ' SER . . . . . 0.4 ' HG ' ' HZ ' ' A' ' 104' ' ' PHE . 24.1 p -125.72 163.38 22.95 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.53 1.144 . . . . 0.0 110.03 179.978 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 61.8 p -94.74 142.99 26.82 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.478 1.111 . . . . 0.0 110.018 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -96.98 163.56 22.32 Favored Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.525 1.14 . . . . 0.0 110.995 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.97 -164.31 0.23 Allowed 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.429 1.752 . . . . 0.0 110.954 -179.983 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 38' ' ' ILE . . . . . 0.418 HG22 ' H ' ' A' ' 38' ' ' ILE . 0.8 OUTLIER -79.11 -31.1 14.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.526 1.141 . . . . 0.0 109.313 179.983 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 1.7 pt20 -79.75 -25.95 40.87 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.506 1.129 . . . . 0.0 110.319 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 40' ' ' LYS . . . . . 0.857 ' HG2' HD11 ' A' ' 103' ' ' LEU . 0.0 OUTLIER -136.3 61.47 39.02 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.468 1.105 . . . . 0.0 109.297 -179.978 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 41' ' ' PRO . . . . . 0.47 ' HD3' ' N ' ' A' ' 40' ' ' LYS . 18.2 Cg_endo -75.03 147.06 33.3 Favored 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.44 1.758 . . . . 0.0 110.956 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 140.56 -162.07 26.58 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.492 1.12 . . . . 0.0 111.023 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 43' ' ' ILE . . . . . 0.417 ' O ' ' HA ' ' A' ' 64' ' ' GLN . 14.2 mm -117.76 130.68 72.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.525 0.779 . . . . 0.0 109.29 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 44' ' ' PHE . . . . . 0.579 ' CD2' ' HB2' ' A' ' 64' ' ' GLN . 1.3 m-85 -136.36 141.12 43.69 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.479 1.112 . . . . 0.0 111.003 -179.986 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 18.3 mt -68.84 146.29 12.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.474 1.109 . . . . 0.0 109.289 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 1.2 p -111.7 -36.88 5.34 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.52 1.138 . . . . 0.0 109.999 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 63.6 t-80 -151.86 159.3 43.9 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.485 1.116 . . . . 0.0 109.58 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 48' ' ' VAL . . . . . 0.5 HG22 ' HB3' ' A' ' 31' ' ' CYS . 26.4 t . . . . . 0 C--N 1.326 -0.441 0 O-C-N 124.497 1.123 . . . . 0.0 109.285 -179.976 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 94.6 p . . . . . 0 N--CA 1.453 -0.306 0 N-CA-C 110.014 -0.365 . . . . 0.0 110.014 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . 0.93 HD13 ' CD ' ' A' ' 56' ' ' GLU . 0.1 OUTLIER -58.21 -18.75 28.33 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.468 1.105 . . . . 0.0 109.285 -179.957 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 54' ' ' SER . . . . . 0.577 ' O ' HG22 ' A' ' 57' ' ' VAL . 0.3 OUTLIER -93.25 -34.37 13.59 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.496 1.122 . . . . 0.0 109.975 -179.991 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -71.97 -41.55 67.57 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.496 1.122 . . . . 0.0 109.286 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . 0.93 ' CD ' HD13 ' A' ' 53' ' ' LEU . 8.2 pt-20 -54.41 -38.07 65.8 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.573 1.17 . . . . 0.0 110.286 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 57' ' ' VAL . . . . . 0.577 HG22 ' O ' ' A' ' 54' ' ' SER . 32.6 m -80.7 -26.38 11.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.464 1.102 . . . . 0.0 109.297 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 98.17 39.99 3.62 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.526 1.141 . . . . 0.0 111.023 -179.977 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 59' ' ' LEU . . . . . 0.532 ' HG ' HG23 ' A' ' 57' ' ' VAL . 20.8 mt -82.43 145.77 29.67 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.5 0.764 . . . . 0.0 109.32 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 35.9 mt-10 -136.16 162.27 33.41 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.544 1.152 . . . . 0.0 110.288 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 60.2 mt -57.09 129.59 19.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.536 1.147 . . . . 0.0 109.308 180.0 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 117.54 -34.31 4.58 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.477 1.11 . . . . 0.0 111.002 -179.994 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 63' ' ' ASP . . . . . 0.442 ' CG ' HD13 ' A' ' 95' ' ' ILE . 82.2 m-20 -48.93 98.02 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.546 0.792 . . . . 0.0 109.294 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 64' ' ' GLN . . . . . 0.636 ' HB3' ' HB3' ' A' ' 99' ' ' ALA . 53.8 tt0 -83.0 128.13 34.19 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.509 1.131 . . . . 0.0 110.331 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 65' ' ' ILE . . . . . 0.582 ' CG2' ' CD2' ' A' ' 73' ' ' PHE . 68.0 mt -80.49 108.98 14.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.469 1.106 . . . . 0.0 109.343 179.971 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 66' ' ' VAL . . . . . 0.852 HG22 ' O ' ' A' ' 94' ' ' SER . 14.1 m -97.56 -24.38 4.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.488 1.117 . . . . 0.0 109.25 -179.967 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . 0.423 ' C ' HG23 ' A' ' 68' ' ' VAL . 35.9 tt0 -151.86 154.16 35.61 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.494 1.121 . . . . 0.0 110.298 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 68' ' ' VAL . . . . . 0.576 ' CG2' ' CG2' ' A' ' 65' ' ' ILE . 99.5 t -152.32 114.42 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.499 1.125 . . . . 0.0 109.311 -179.975 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 69' ' ' ASN . . . . . 0.808 HD22 HD23 ' A' ' 91' ' ' LEU . 1.2 t-20 57.08 20.68 5.71 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.531 1.145 . . . . 0.0 109.303 -180.0 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 97.16 -0.09 60.12 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.469 1.106 . . . . 0.0 111.005 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 71' ' ' VAL . . . . . 0.697 HG21 ' CG1' ' A' ' 84' ' ' VAL . 61.2 t -75.71 146.03 9.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.458 0.74 . . . . 0.0 109.303 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 4.2 t0 -85.51 87.87 7.45 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.54 1.15 . . . . 0.0 109.358 179.975 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 73' ' ' PHE . . . . . 0.749 ' CG ' HD12 ' A' ' 76' ' ' LEU . 3.3 m-85 -86.79 41.88 0.98 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.461 1.101 . . . . 0.0 110.984 -179.954 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 10.3 t -79.46 -67.32 0.77 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.444 1.09 . . . . 0.0 109.983 -179.961 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 6.5 p30 -113.8 49.48 0.98 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.454 1.096 . . . . 0.0 109.268 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 76' ' ' LEU . . . . . 0.749 HD12 ' CG ' ' A' ' 73' ' ' PHE . 7.1 mt -78.64 -167.7 1.17 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.475 1.109 . . . . 0.0 109.305 179.964 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 21.2 t70 -136.59 171.68 14.13 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.473 1.108 . . . . 0.0 109.314 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 78' ' ' HIS . . . . . . . . . . . . . 62.4 t-80 -71.9 -6.3 40.84 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.447 1.092 . . . . 0.0 109.646 179.972 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 5.3 mmtt -107.8 -36.28 6.44 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.502 1.126 . . . . 0.0 109.257 -179.97 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 80' ' ' GLU . . . . . 0.702 ' CB ' HD22 ' A' ' 76' ' ' LEU . 2.1 mm-40 -79.32 -37.41 37.7 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.545 1.153 . . . . 0.0 110.288 -179.965 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -72.81 -26.48 61.52 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.508 1.13 . . . . 0.0 109.281 -179.98 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 82' ' ' VAL . . . . . 0.699 HG12 ' CE ' ' A' ' 86' ' ' LYS . 4.4 t -83.2 -44.33 18.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.536 1.147 . . . . 0.0 109.288 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 13.0 t30 -59.83 -44.88 93.82 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.453 1.096 . . . . 0.0 109.291 -179.952 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 84' ' ' VAL . . . . . 0.697 ' CG1' HG21 ' A' ' 71' ' ' VAL . 88.5 t -69.19 -28.12 37.62 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.478 1.111 . . . . 0.0 109.298 -179.988 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 17.6 mt -78.39 -39.67 38.38 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.522 1.139 . . . . 0.0 109.299 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 86' ' ' LYS . . . . . 0.699 ' CE ' HG12 ' A' ' 82' ' ' VAL . 4.7 ptpt -86.55 -1.92 58.04 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.56 1.163 . . . . 0.0 109.301 -179.986 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 2.2 t -52.99 -67.88 0.22 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.471 1.107 . . . . 0.0 109.99 179.968 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 88' ' ' SER . . . . . 0.418 ' O ' HD11 ' A' ' 91' ' ' LEU . 0.3 OUTLIER -119.66 -176.98 3.28 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.469 1.106 . . . . 0.0 110.015 179.983 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 5.2 mmt-85 -86.42 -55.19 4.01 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.483 1.114 . . . . 0.0 110.26 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 2.0 m -89.26 119.72 29.99 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.448 1.092 . . . . 0.0 110.004 -179.977 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 91' ' ' LEU . . . . . 0.808 HD23 HD22 ' A' ' 69' ' ' ASN . 1.0 OUTLIER -137.34 148.22 46.13 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.485 1.116 . . . . 0.0 109.246 -179.995 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 92' ' ' THR . . . . . 0.636 HG23 ' HD3' ' A' ' 18' ' ' LYS . 2.8 m -106.58 101.32 10.78 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.488 1.117 . . . . 0.0 110.37 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 93' ' ' ILE . . . . . 0.568 HD12 HG13 ' A' ' 21' ' ' ILE . 17.7 mt -89.3 137.22 21.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.495 1.122 . . . . 0.0 109.314 179.975 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 94' ' ' SER . . . . . 0.852 ' O ' HG22 ' A' ' 66' ' ' VAL . 0.3 OUTLIER -118.97 100.05 7.12 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.536 1.147 . . . . 0.0 109.98 -179.993 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 95' ' ' ILE . . . . . 0.442 HD13 ' CG ' ' A' ' 63' ' ' ASP . 1.2 pt -100.33 168.8 1.77 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.524 1.14 . . . . 0.0 109.31 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 96' ' ' VAL . . . . . 0.862 ' HB ' ' HB2' ' A' ' 99' ' ' ALA . 75.9 t -111.44 34.29 0.85 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.56 1.162 . . . . 0.0 109.298 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 97' ' ' ALA . . . . . 0.413 ' H ' HD12 ' A' ' 95' ' ' ILE . . . 47.09 95.27 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.475 1.109 . . . . 0.0 109.279 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 98' ' ' ALA . . . . . 0.729 ' HB1' ' HG3' ' A' ' 101' ' ' ARG . . . 44.29 59.61 3.18 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.472 1.108 . . . . 0.0 109.33 179.979 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 99' ' ' ALA . . . . . 0.862 ' HB2' ' HB ' ' A' ' 96' ' ' VAL . . . -63.79 -76.38 0.07 Allowed 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.534 1.146 . . . . 0.0 109.285 -179.986 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . -89.66 49.14 3.37 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.478 1.111 . . . . 0.0 111.017 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 101' ' ' ARG . . . . . 0.729 ' HG3' ' HB1' ' A' ' 98' ' ' ALA . 0.0 OUTLIER -63.55 -35.92 82.07 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.552 0.795 . . . . 0.0 110.333 179.993 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 9.6 pt-20 -50.93 -31.14 16.75 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.502 1.126 . . . . 0.0 110.32 -179.987 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 103' ' ' LEU . . . . . 0.857 HD11 ' HG2' ' A' ' 40' ' ' LYS . 70.4 mt -54.23 -34.44 60.69 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.441 1.088 . . . . 0.0 109.287 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 104' ' ' PHE . . . . . 0.4 ' HZ ' ' HG ' ' A' ' 34' ' ' SER . 31.9 m-85 . . . . . 0 C--N 1.325 -0.48 0 O-C-N 124.536 1.147 . . . . 0.0 111.002 179.968 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 23.7 mt-10 . . . . . 0 N--CA 1.453 -0.313 0 N-CA-C 110.304 -0.258 . . . . 0.0 110.304 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . 0.56 ' HE3' HD11 ' A' ' 95' ' ' ILE . 0.7 OUTLIER -113.39 157.3 22.07 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.546 1.153 . . . . 0.0 109.321 179.974 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -109.21 123.55 49.43 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.409 1.068 . . . . 0.0 109.278 -179.98 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 19' ' ' VAL . . . . . 0.418 HG23 ' HB ' ' A' ' 93' ' ' ILE . 0.6 OUTLIER -123.46 117.0 50.0 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.551 1.157 . . . . 0.0 109.271 -179.993 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 20' ' ' PHE . . . . . 0.597 ' CE2' ' OG1' ' A' ' 92' ' ' THR . 0.2 OUTLIER -93.6 113.51 25.63 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.526 1.141 . . . . 0.0 111.041 179.937 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 21' ' ' ILE . . . . . 0.438 ' CG1' HD12 ' A' ' 93' ' ' ILE . 24.1 mm -96.53 119.44 44.59 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.505 1.128 . . . . 0.0 109.312 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 4.4 p -113.0 123.91 51.41 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.497 1.123 . . . . 0.0 110.027 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.42 HD13 ' HA ' ' A' ' 23' ' ' LEU . 4.4 mm? . . . . . 0 C--N 1.325 -0.467 0 O-C-N 124.491 1.119 . . . . 0.0 109.302 -179.968 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.029 0 N-CA-C 110.966 -0.854 . . . . 0.0 110.966 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 31' ' ' CYS . . . . . 0.42 ' HA ' ' O ' ' A' ' 47' ' ' HIS . 17.0 p -127.67 142.1 51.43 Favored 'General case' 0 C--N 1.324 -0.508 0 N-CA-C 108.292 -1.003 . . . . 0.0 108.292 179.969 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -101.86 137.68 39.84 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.508 1.13 . . . . 0.0 109.954 -179.973 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 33' ' ' ILE . . . . . 0.563 HD11 ' CG2' ' A' ' 82' ' ' VAL . 5.5 pt -108.37 148.08 12.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.471 1.107 . . . . 0.0 109.348 179.967 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 24.1 m -138.64 142.87 39.06 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.509 1.13 . . . . 0.0 110.001 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 1.7 t -81.89 149.74 28.11 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.543 1.152 . . . . 0.0 110.031 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -92.7 174.72 36.46 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.536 1.148 . . . . 0.0 111.024 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.96 -172.31 1.22 Allowed 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.507 1.793 . . . . 0.0 110.982 -179.983 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 0.8 OUTLIER -72.46 -30.19 33.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.489 1.118 . . . . 0.0 109.336 179.945 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 12.3 pt20 -77.12 -31.02 55.48 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.483 1.114 . . . . 0.0 110.321 179.963 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 40' ' ' LYS . . . . . 0.68 ' HG2' HD11 ' A' ' 103' ' ' LEU . 0.6 OUTLIER -137.45 62.11 35.03 Favored Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.514 1.134 . . . . 0.0 109.272 179.99 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 41' ' ' PRO . . . . . 0.459 ' HD3' ' N ' ' A' ' 40' ' ' LYS . 18.3 Cg_endo -75.04 146.39 32.47 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.509 1.794 . . . . 0.0 110.974 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 151.54 -166.21 30.67 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.522 1.139 . . . . 0.0 110.981 179.992 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 43' ' ' ILE . . . . . 0.534 HG22 HD12 ' A' ' 65' ' ' ILE . 14.5 mm -114.21 118.74 59.35 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.529 0.782 . . . . 0.0 109.242 -179.949 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 44' ' ' PHE . . . . . 0.567 ' N ' ' CD1' ' A' ' 44' ' ' PHE . 1.5 m-85 -129.35 143.15 50.73 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.475 1.109 . . . . 0.0 110.967 179.98 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 45' ' ' ILE . . . . . 0.594 ' O ' ' CE2' ' A' ' 104' ' ' PHE . 5.4 mt -65.5 150.1 10.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.518 1.136 . . . . 0.0 109.328 179.934 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 1.1 p -119.27 -40.43 2.81 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.521 1.138 . . . . 0.0 110.017 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 47' ' ' HIS . . . . . 0.42 ' O ' ' HA ' ' A' ' 31' ' ' CYS . 44.4 t-80 -156.45 150.39 25.04 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.495 1.122 . . . . 0.0 109.606 179.98 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 48' ' ' VAL . . . . . 0.439 HG21 ' HB2' ' A' ' 54' ' ' SER . 0.6 OUTLIER . . . . . 0 C--N 1.326 -0.451 0 O-C-N 124.454 1.096 . . . . 0.0 109.294 -179.978 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 52' ' ' SER . . . . . 0.44 ' OG ' ' N ' ' A' ' 53' ' ' LEU . 3.3 p . . . . . 0 N--CA 1.453 -0.286 0 N-CA-C 110.012 -0.366 . . . . 0.0 110.012 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . 0.473 HD13 ' HA ' ' A' ' 53' ' ' LEU . 0.0 OUTLIER -84.78 -19.71 32.17 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.479 1.112 . . . . 0.0 109.31 -179.973 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 54' ' ' SER . . . . . 0.551 ' O ' HG22 ' A' ' 57' ' ' VAL . 0.7 OUTLIER -94.44 -39.85 10.22 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.475 1.109 . . . . 0.0 109.982 179.977 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -60.62 -32.62 71.76 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.49 1.119 . . . . 0.0 109.289 -179.979 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . 0.448 ' CG ' ' O ' ' A' ' 53' ' ' LEU . 0.9 OUTLIER -61.72 -32.78 73.03 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.492 1.12 . . . . 0.0 110.253 -179.955 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 57' ' ' VAL . . . . . 0.58 HG23 ' HG ' ' A' ' 59' ' ' LEU . 33.0 m -95.28 -3.05 10.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.52 1.137 . . . . 0.0 109.259 -179.953 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 79.85 27.3 53.99 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.457 1.098 . . . . 0.0 110.975 179.978 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 59' ' ' LEU . . . . . 0.58 ' HG ' HG23 ' A' ' 57' ' ' VAL . 9.9 mt -68.39 138.73 55.59 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.453 0.737 . . . . 0.0 109.306 179.976 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 39.8 mt-10 -135.65 170.86 15.31 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.537 1.148 . . . . 0.0 110.314 179.97 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 61' ' ' ILE . . . . . 0.408 ' HA ' HG22 ' A' ' 45' ' ' ILE . 42.5 mt -62.12 137.17 24.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.491 1.119 . . . . 0.0 109.296 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 62' ' ' GLY . . . . . 0.428 ' O ' ' N ' ' A' ' 64' ' ' GLN . . . 111.04 -41.65 2.18 Favored Glycine 0 CA--C 1.531 1.048 0 O-C-N 124.484 1.115 . . . . 0.0 110.973 179.986 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 81.4 m-20 -45.24 97.56 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.542 0.789 . . . . 0.0 109.315 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 64' ' ' GLN . . . . . 0.568 ' HB3' ' HB3' ' A' ' 99' ' ' ALA . 28.1 tt0 -82.87 134.82 35.08 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.491 1.12 . . . . 0.0 110.307 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 65' ' ' ILE . . . . . 0.709 HG23 HG23 ' A' ' 93' ' ' ILE . 16.4 mt -88.38 111.42 22.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.509 1.131 . . . . 0.0 109.255 -179.977 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 66' ' ' VAL . . . . . 0.604 HG22 ' O ' ' A' ' 94' ' ' SER . 17.3 m -101.04 -21.64 5.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.516 1.135 . . . . 0.0 109.359 179.953 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . 0.428 ' HA ' ' O ' ' A' ' 71' ' ' VAL . 33.8 tt0 -151.92 152.46 32.57 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.537 1.148 . . . . 0.0 110.27 179.986 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 68' ' ' VAL . . . . . 0.684 ' O ' HG23 ' A' ' 71' ' ' VAL . 97.7 t -152.25 119.58 0.7 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.514 1.134 . . . . 0.0 109.335 179.988 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 69' ' ' ASN . . . . . 0.898 ' ND2' HD23 ' A' ' 91' ' ' LEU . 1.1 t-20 51.23 28.57 4.24 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.484 1.115 . . . . 0.0 109.321 -179.956 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 84.84 22.4 53.12 Favored Glycine 0 CA--C 1.529 0.959 0 O-C-N 124.497 1.123 . . . . 0.0 111.036 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 71' ' ' VAL . . . . . 0.684 HG23 ' O ' ' A' ' 68' ' ' VAL . 98.6 t -97.39 158.91 3.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.442 0.73 . . . . 0.0 109.331 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 1.8 t0 -94.47 85.18 4.48 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.545 1.153 . . . . 0.0 109.319 179.966 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 73' ' ' PHE . . . . . 0.794 ' CD1' HD12 ' A' ' 76' ' ' LEU . 3.8 m-85 -89.62 26.31 1.78 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.483 1.114 . . . . 0.0 111.026 179.979 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -79.35 -47.75 15.26 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.463 1.102 . . . . 0.0 110.014 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 2.0 p30 -124.32 48.55 1.91 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.469 1.106 . . . . 0.0 109.312 179.964 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 76' ' ' LEU . . . . . 0.794 HD12 ' CD1' ' A' ' 73' ' ' PHE . 7.1 mt -87.41 -167.71 1.98 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.513 1.133 . . . . 0.0 109.31 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 38.2 t70 -133.4 172.16 13.08 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.491 1.119 . . . . 0.0 109.324 179.969 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 78' ' ' HIS . . . . . . . . . . . . . 60.2 t-80 -72.35 -5.82 39.01 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.485 1.115 . . . . 0.0 109.576 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 9.7 mmtt -109.01 -37.24 5.87 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.474 1.108 . . . . 0.0 109.32 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 80' ' ' GLU . . . . . 0.699 ' CB ' HD22 ' A' ' 76' ' ' LEU . 3.7 mt-10 -78.62 -35.79 45.07 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.527 1.142 . . . . 0.0 110.333 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -73.69 -31.64 63.54 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.495 1.122 . . . . 0.0 109.31 179.937 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 82' ' ' VAL . . . . . 0.828 HG12 ' CE ' ' A' ' 86' ' ' LYS . 44.2 t -82.06 -39.02 16.15 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.54 1.15 . . . . 0.0 109.302 -179.959 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 41.3 t30 -63.92 -40.22 95.97 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.504 1.127 . . . . 0.0 109.326 179.962 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 84' ' ' VAL . . . . . 0.68 HG23 ' O ' ' A' ' 80' ' ' GLU . 83.2 t -73.23 -33.48 41.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.502 1.126 . . . . 0.0 109.267 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 25.9 mt -75.69 -35.28 60.37 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.468 1.105 . . . . 0.0 109.311 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 86' ' ' LYS . . . . . 0.828 ' CE ' HG12 ' A' ' 82' ' ' VAL . 0.2 OUTLIER -88.45 -3.66 58.78 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.508 1.13 . . . . 0.0 109.267 -179.953 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 4.9 t -57.54 -59.79 4.65 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.477 1.111 . . . . 0.0 109.98 -179.936 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 88' ' ' SER . . . . . 0.717 ' O ' HD11 ' A' ' 91' ' ' LEU . 0.4 OUTLIER -128.25 174.39 9.32 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.471 1.107 . . . . 0.0 110.004 179.992 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 24.7 mmt180 -81.51 -58.94 2.8 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.503 1.127 . . . . 0.0 110.312 179.952 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -83.13 117.78 23.12 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.519 1.137 . . . . 0.0 110.039 179.958 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 91' ' ' LEU . . . . . 0.898 HD23 ' ND2' ' A' ' 69' ' ' ASN . 1.1 mt -140.85 143.9 35.01 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.521 1.138 . . . . 0.0 109.307 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 92' ' ' THR . . . . . 0.597 ' OG1' ' CE2' ' A' ' 20' ' ' PHE . 44.0 m -100.12 100.27 11.1 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.471 1.107 . . . . 0.0 110.385 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 93' ' ' ILE . . . . . 0.709 HG23 HG23 ' A' ' 65' ' ' ILE . 16.8 mt -89.91 135.16 26.96 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.551 1.157 . . . . 0.0 109.303 179.978 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 94' ' ' SER . . . . . 0.604 ' O ' HG22 ' A' ' 66' ' ' VAL . 0.4 OUTLIER -115.79 103.24 10.46 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.488 1.118 . . . . 0.0 109.976 -179.971 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 95' ' ' ILE . . . . . 0.56 HD11 ' HE3' ' A' ' 17' ' ' LYS . 1.5 pt -100.3 168.47 1.84 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.462 1.101 . . . . 0.0 109.325 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 96' ' ' VAL . . . . . 0.928 ' HB ' ' HB2' ' A' ' 99' ' ' ALA . 76.0 t -108.32 31.27 0.99 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.473 1.108 . . . . 0.0 109.296 179.985 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 97' ' ' ALA . . . . . 0.434 ' O ' ' O ' ' A' ' 96' ' ' VAL . . . 45.16 95.54 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.479 1.112 . . . . 0.0 109.313 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . 47.74 58.64 4.8 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.531 1.144 . . . . 0.0 109.302 179.992 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 99' ' ' ALA . . . . . 0.928 ' HB2' ' HB ' ' A' ' 96' ' ' VAL . . . -65.21 -68.63 0.35 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.478 1.111 . . . . 0.0 109.316 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . -106.08 59.93 0.39 Allowed Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.532 1.145 . . . . 0.0 110.989 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 1.1 ttp180 -70.78 -29.95 66.29 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.505 0.768 . . . . 0.0 110.319 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 10.5 pt-20 -58.52 -40.04 81.78 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.498 1.124 . . . . 0.0 110.326 179.954 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 103' ' ' LEU . . . . . 0.68 HD11 ' HG2' ' A' ' 40' ' ' LYS . 48.3 mt -40.76 -42.62 1.81 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.483 1.115 . . . . 0.0 109.294 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 104' ' ' PHE . . . . . 0.594 ' CE2' ' O ' ' A' ' 45' ' ' ILE . 48.7 m-85 . . . . . 0 C--N 1.324 -0.513 0 O-C-N 124.52 1.138 . . . . 0.0 110.998 -179.973 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . 0.419 ' HA ' ' O ' ' A' ' 95' ' ' ILE . 17.9 mt-10 . . . . . 0 N--CA 1.453 -0.287 0 N-CA-C 110.304 -0.258 . . . . 0.0 110.304 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . 0.452 ' CE ' HD11 ' A' ' 95' ' ' ILE . 0.6 OUTLIER -126.49 141.76 51.77 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.497 1.123 . . . . 0.0 109.279 -179.961 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -92.7 125.86 37.51 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.535 1.147 . . . . 0.0 109.298 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 19' ' ' VAL . . . . . 0.503 HG23 ' HB ' ' A' ' 93' ' ' ILE . 2.6 m -129.36 121.91 54.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.475 1.109 . . . . 0.0 109.286 -179.982 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 20' ' ' PHE . . . . . 0.59 ' CE2' ' OG1' ' A' ' 92' ' ' THR . 0.1 OUTLIER -100.89 115.96 31.64 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.514 1.134 . . . . 0.0 111.018 179.977 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 21' ' ' ILE . . . . . 0.498 ' CG1' HD12 ' A' ' 93' ' ' ILE . 33.1 mm -97.66 118.11 43.57 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 O-C-N 124.533 1.145 . . . . 0.0 109.309 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 18.2 p -112.87 104.31 12.3 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.418 1.074 . . . . 0.0 109.989 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 3.6 mp . . . . . 0 C--N 1.325 -0.5 0 O-C-N 124.506 1.129 . . . . 0.0 109.285 179.979 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.995 0 N-CA-C 110.987 -0.845 . . . . 0.0 110.987 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 31' ' ' CYS . . . . . 0.42 ' HA ' ' O ' ' A' ' 47' ' ' HIS . 24.6 p -111.74 148.15 34.11 Favored 'General case' 0 C--N 1.325 -0.482 0 N-CA-C 108.341 -0.985 . . . . 0.0 108.341 179.952 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -102.78 141.84 34.92 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.522 1.138 . . . . 0.0 109.996 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 33' ' ' ILE . . . . . 0.704 HD11 ' CG2' ' A' ' 82' ' ' VAL . 6.3 pt -117.92 145.92 23.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.522 1.138 . . . . 0.0 109.3 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -134.87 168.9 18.23 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.476 1.11 . . . . 0.0 109.989 -179.981 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 74.1 p -96.5 143.48 27.47 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.51 1.131 . . . . 0.0 110.018 179.977 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -95.32 164.7 24.68 Favored Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.521 1.138 . . . . 0.0 111.003 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.05 -172.04 1.15 Allowed 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.492 1.785 . . . . 0.0 110.962 -179.956 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 0.7 OUTLIER -72.18 -30.33 35.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.511 1.132 . . . . 0.0 109.325 -179.976 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 16.9 pt20 -78.09 -30.19 49.43 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.507 1.13 . . . . 0.0 110.3 179.978 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 40' ' ' LYS . . . . . 0.805 ' HG2' HD11 ' A' ' 103' ' ' LEU . 0.0 OUTLIER -136.01 61.57 41.31 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.5 1.125 . . . . 0.0 109.3 -179.996 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 41' ' ' PRO . . . . . 0.476 ' HD3' ' N ' ' A' ' 40' ' ' LYS . 18.2 Cg_endo -75.0 146.53 32.76 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.505 1.792 . . . . 0.0 110.992 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 142.6 -163.94 27.13 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.509 1.13 . . . . 0.0 110.983 179.954 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 7.5 mm -116.2 118.6 59.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.49 0.759 . . . . 0.0 109.252 -179.965 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 44' ' ' PHE . . . . . 0.573 ' N ' ' CD1' ' A' ' 44' ' ' PHE . 1.2 m-85 -126.63 140.24 52.57 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.521 1.138 . . . . 0.0 111.014 179.974 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 45' ' ' ILE . . . . . 0.527 ' O ' ' CZ ' ' A' ' 104' ' ' PHE . 25.5 mt -66.56 145.06 14.12 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.524 1.14 . . . . 0.0 109.288 -180.0 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 46' ' ' SER . . . . . 0.496 ' HA ' ' CE2' ' A' ' 104' ' ' PHE . 0.8 OUTLIER -108.88 -37.36 5.88 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.509 1.131 . . . . 0.0 109.964 -179.992 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 47' ' ' HIS . . . . . 0.42 ' O ' ' HA ' ' A' ' 31' ' ' CYS . 58.8 t-80 -160.27 154.86 23.91 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.482 1.114 . . . . 0.0 109.61 -179.961 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 1.2 p . . . . . 0 C--N 1.325 -0.488 0 O-C-N 124.46 1.1 . . . . 0.0 109.297 -179.999 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 80.7 p . . . . . 0 N--CA 1.453 -0.321 0 N-CA-C 110.011 -0.366 . . . . 0.0 110.011 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . 0.413 ' O ' ' CG ' ' A' ' 56' ' ' GLU . 32.0 tp -83.83 -20.85 32.47 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.5 1.125 . . . . 0.0 109.304 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 54' ' ' SER . . . . . 0.782 ' O ' HG22 ' A' ' 57' ' ' VAL . 3.8 m -94.56 -32.99 13.21 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.48 1.112 . . . . 0.0 109.974 -179.965 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -68.59 -30.67 69.48 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.492 1.12 . . . . 0.0 109.287 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . 0.453 ' HG3' HG13 ' A' ' 57' ' ' VAL . 2.8 pt-20 -63.84 -34.29 77.6 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.529 1.143 . . . . 0.0 110.309 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 57' ' ' VAL . . . . . 0.782 HG22 ' O ' ' A' ' 54' ' ' SER . 20.5 m -83.59 -21.3 8.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.482 1.114 . . . . 0.0 109.359 179.976 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 99.61 38.57 3.65 Favored Glycine 0 CA--C 1.531 1.045 0 O-C-N 124.52 1.138 . . . . 0.0 110.99 179.968 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 59' ' ' LEU . . . . . 0.598 HD12 ' HB3' ' A' ' 54' ' ' SER . 16.6 mt -85.91 141.57 29.47 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.573 0.807 . . . . 0.0 109.299 -179.983 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 25.0 mt-10 -135.13 172.25 13.28 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.523 1.14 . . . . 0.0 110.286 179.975 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 26.5 mt -67.5 124.15 22.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.481 1.113 . . . . 0.0 109.28 179.983 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 119.96 -35.16 3.91 Favored Glycine 0 CA--C 1.529 0.951 0 O-C-N 124.47 1.106 . . . . 0.0 110.966 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 63' ' ' ASP . . . . . 0.688 ' HB3' HD13 ' A' ' 95' ' ' ILE . 85.1 m-20 -47.02 98.87 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.514 0.773 . . . . 0.0 109.319 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 64' ' ' GLN . . . . . 0.666 ' HB3' ' HB3' ' A' ' 99' ' ' ALA . 44.4 tt0 -82.92 128.6 34.6 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.489 1.118 . . . . 0.0 110.277 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 65' ' ' ILE . . . . . 0.574 ' CG2' ' CG2' ' A' ' 68' ' ' VAL . 54.1 mt -78.27 113.0 16.93 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.47 1.106 . . . . 0.0 109.302 179.975 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 66' ' ' VAL . . . . . 0.947 HG22 ' O ' ' A' ' 94' ' ' SER . 16.8 m -101.93 -21.24 5.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.506 1.129 . . . . 0.0 109.304 179.976 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . 0.434 ' HG2' ' N ' ' A' ' 68' ' ' VAL . 29.0 tt0 -156.02 150.4 25.71 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.545 1.153 . . . . 0.0 110.321 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 68' ' ' VAL . . . . . 0.706 ' O ' HG23 ' A' ' 71' ' ' VAL . 64.4 t -148.74 117.85 1.07 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.472 1.108 . . . . 0.0 109.269 -179.959 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 69' ' ' ASN . . . . . 0.792 HD22 HD23 ' A' ' 91' ' ' LEU . 1.1 t-20 53.92 25.2 5.13 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.476 1.11 . . . . 0.0 109.336 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 88.38 19.18 53.48 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.486 1.116 . . . . 0.0 111.001 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 71' ' ' VAL . . . . . 0.706 HG23 ' O ' ' A' ' 68' ' ' VAL . 65.8 t -93.96 158.41 2.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.493 0.761 . . . . 0.0 109.264 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 7.0 t0 -93.19 89.29 6.38 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.473 1.108 . . . . 0.0 109.294 179.967 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 73' ' ' PHE . . . . . 0.872 ' CD1' HD12 ' A' ' 76' ' ' LEU . 4.8 m-85 -95.39 21.57 7.93 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.456 1.097 . . . . 0.0 110.992 -180.0 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -75.96 -30.46 58.63 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.507 1.129 . . . . 0.0 110.006 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 6.9 m-80 -143.24 46.32 1.53 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.537 1.148 . . . . 0.0 109.36 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 76' ' ' LEU . . . . . 0.872 HD12 ' CD1' ' A' ' 73' ' ' PHE . 5.0 mt -82.84 -165.48 1.07 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.456 1.098 . . . . 0.0 109.293 -179.947 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 19.4 t0 -131.57 169.15 16.52 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.469 1.106 . . . . 0.0 109.322 179.958 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 78' ' ' HIS . . . . . . . . . . . . . 61.4 t-80 -71.71 -6.92 44.74 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.535 1.147 . . . . 0.0 109.663 179.987 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 19.0 mttt -109.39 -34.77 6.44 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.494 1.121 . . . . 0.0 109.285 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 80' ' ' GLU . . . . . 0.709 ' CB ' HD22 ' A' ' 76' ' ' LEU . 1.8 mm-40 -79.66 -37.84 34.99 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.464 1.103 . . . . 0.0 110.306 -179.986 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 81' ' ' ALA . . . . . 0.488 ' HA ' HD13 ' A' ' 76' ' ' LEU . . . -70.88 -27.59 63.93 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.504 1.127 . . . . 0.0 109.337 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 82' ' ' VAL . . . . . 0.782 HG12 ' CE ' ' A' ' 86' ' ' LYS . 24.8 t -85.96 -38.48 12.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.458 1.099 . . . . 0.0 109.334 179.956 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 2.3 t30 -65.25 -41.79 93.96 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.491 1.119 . . . . 0.0 109.301 179.976 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 84' ' ' VAL . . . . . 0.505 HG11 HG21 ' A' ' 71' ' ' VAL . 69.5 t -73.56 -26.9 22.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.54 1.15 . . . . 0.0 109.31 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 85' ' ' LEU . . . . . 0.427 HD12 ' O ' ' A' ' 81' ' ' ALA . 19.9 mt -80.7 -41.21 24.05 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.491 1.12 . . . . 0.0 109.306 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 86' ' ' LYS . . . . . 0.782 ' CE ' HG12 ' A' ' 82' ' ' VAL . 9.2 ptpt -83.46 -2.96 57.1 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.5 1.125 . . . . 0.0 109.257 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -56.12 -57.25 12.97 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.463 1.102 . . . . 0.0 110.046 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -127.54 -170.36 2.21 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.517 1.136 . . . . 0.0 109.966 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -98.94 -52.71 3.48 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.492 1.12 . . . . 0.0 110.295 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -90.17 110.82 21.83 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.459 1.099 . . . . 0.0 109.998 179.967 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 91' ' ' LEU . . . . . 0.792 HD23 HD22 ' A' ' 69' ' ' ASN . 1.1 mp -133.44 148.15 51.74 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.516 1.135 . . . . 0.0 109.308 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 92' ' ' THR . . . . . 0.59 ' OG1' ' CE2' ' A' ' 20' ' ' PHE . 67.4 m -102.84 100.9 10.93 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.49 1.119 . . . . 0.0 110.399 -179.975 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 93' ' ' ILE . . . . . 0.503 ' HB ' HG23 ' A' ' 19' ' ' VAL . 18.8 mt -89.23 137.47 21.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.474 1.109 . . . . 0.0 109.34 179.982 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 94' ' ' SER . . . . . 0.947 ' O ' HG22 ' A' ' 66' ' ' VAL . 0.3 OUTLIER -122.65 102.72 8.22 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.511 1.132 . . . . 0.0 109.968 -179.941 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 95' ' ' ILE . . . . . 0.688 HD13 ' HB3' ' A' ' 63' ' ' ASP . 1.4 pt -99.96 177.84 0.69 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.459 1.099 . . . . 0.0 109.342 179.96 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 96' ' ' VAL . . . . . 0.929 ' HB ' ' HB2' ' A' ' 99' ' ' ALA . 84.8 t -115.78 35.37 1.02 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.468 1.105 . . . . 0.0 109.32 -179.973 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 97' ' ' ALA . . . . . 0.403 ' O ' ' O ' ' A' ' 96' ' ' VAL . . . 45.13 93.69 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.486 1.116 . . . . 0.0 109.274 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . 45.46 58.98 3.82 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.546 1.154 . . . . 0.0 109.273 180.0 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 99' ' ' ALA . . . . . 0.929 ' HB2' ' HB ' ' A' ' 96' ' ' VAL . . . -61.76 -73.05 0.11 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.489 1.118 . . . . 0.0 109.287 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . -104.1 56.85 0.55 Allowed Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.455 1.097 . . . . 0.0 110.967 -179.977 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 7.0 ptt180 -72.39 -24.6 61.27 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.541 0.789 . . . . 0.0 110.286 179.968 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 10.8 pt-20 -56.02 -24.71 40.92 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.484 1.115 . . . . 0.0 110.269 -179.97 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 103' ' ' LEU . . . . . 0.805 HD11 ' HG2' ' A' ' 40' ' ' LYS . 82.4 mt -56.48 -41.39 76.51 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.466 1.104 . . . . 0.0 109.324 179.976 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 104' ' ' PHE . . . . . 0.527 ' CZ ' ' O ' ' A' ' 45' ' ' ILE . 4.2 m-85 . . . . . 0 C--N 1.325 -0.458 0 O-C-N 124.498 1.124 . . . . 0.0 111.002 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 24.2 mt-10 . . . . . 0 N--CA 1.453 -0.297 0 N-CA-C 110.344 -0.243 . . . . 0.0 110.344 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . 0.412 ' CG ' HG13 ' A' ' 95' ' ' ILE . 0.0 OUTLIER -106.14 154.48 20.62 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.532 1.145 . . . . 0.0 109.31 -179.986 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . 0.419 ' HD3' HG23 ' A' ' 92' ' ' THR . 0.0 OUTLIER -107.57 114.02 27.72 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.479 1.112 . . . . 0.0 109.274 -179.983 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 1.0 OUTLIER -118.03 131.86 69.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.499 1.124 . . . . 0.0 109.321 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 20' ' ' PHE . . . . . 0.559 ' CE2' ' OG1' ' A' ' 92' ' ' THR . 3.7 t80 -107.32 111.97 24.58 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.498 1.124 . . . . 0.0 110.983 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 21' ' ' ILE . . . . . 0.471 ' CD1' ' O ' ' A' ' 53' ' ' LEU . 25.3 mm -103.19 112.02 35.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.515 1.134 . . . . 0.0 109.315 179.969 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 22' ' ' SER . . . . . 0.836 ' O ' HD11 ' A' ' 53' ' ' LEU . 8.3 t -114.68 122.93 47.98 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.536 1.147 . . . . 0.0 109.996 179.981 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 3.0 mm? . . . . . 0 C--N 1.326 -0.454 0 O-C-N 124.465 1.103 . . . . 0.0 109.314 179.983 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.004 0 N-CA-C 110.99 -0.844 . . . . 0.0 110.99 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 31' ' ' CYS . . . . . 0.442 ' HA ' ' O ' ' A' ' 47' ' ' HIS . 27.4 p -125.74 149.49 48.49 Favored 'General case' 0 C--N 1.325 -0.468 0 N-CA-C 108.308 -0.997 . . . . 0.0 108.308 179.978 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -108.34 140.44 41.61 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.442 1.089 . . . . 0.0 110.051 179.945 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 4.0 pt -105.02 152.34 6.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.51 1.131 . . . . 0.0 109.315 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -127.84 169.69 13.63 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.476 1.11 . . . . 0.0 110.005 -179.977 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 93.4 p -105.1 142.43 34.9 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.487 1.117 . . . . 0.0 109.998 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -96.61 161.49 22.1 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.468 1.105 . . . . 0.0 110.971 -179.977 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 -172.82 1.36 Allowed 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.486 1.782 . . . . 0.0 111.028 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 0.8 OUTLIER -71.56 -30.27 38.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.503 1.127 . . . . 0.0 109.253 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 11.9 pt20 -78.09 -28.71 48.78 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.489 1.118 . . . . 0.0 110.306 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 40' ' ' LYS . . . . . 0.455 ' N ' ' HD3' ' A' ' 41' ' ' PRO . 27.6 tttt -138.85 62.46 27.46 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.475 1.109 . . . . 0.0 109.347 179.954 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 41' ' ' PRO . . . . . 0.455 ' HD3' ' N ' ' A' ' 40' ' ' LYS . 18.2 Cg_endo -75.01 145.14 31.05 Favored 'Trans proline' 0 C--N 1.361 1.186 0 O-C-N 124.539 1.81 . . . . 0.0 110.971 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 150.83 -158.9 27.9 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.497 1.123 . . . . 0.0 110.973 179.974 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 43' ' ' ILE . . . . . 0.42 HG22 HD12 ' A' ' 65' ' ' ILE . 7.9 mm -126.74 121.58 58.74 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.492 0.76 . . . . 0.0 109.264 -179.927 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 44' ' ' PHE . . . . . 0.575 ' CD2' ' HB2' ' A' ' 64' ' ' GLN . 2.3 m-85 -128.48 146.33 50.84 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.489 1.118 . . . . 0.0 110.989 -179.979 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 45' ' ' ILE . . . . . 0.408 ' O ' ' CZ ' ' A' ' 104' ' ' PHE . 14.6 mt -71.06 138.41 21.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.519 1.137 . . . . 0.0 109.319 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -104.77 -36.76 7.3 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.506 1.129 . . . . 0.0 109.994 -179.949 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 47' ' ' HIS . . . . . 0.442 ' O ' ' HA ' ' A' ' 31' ' ' CYS . 43.3 t-80 -154.91 147.47 24.19 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.491 1.12 . . . . 0.0 109.563 -179.989 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 48' ' ' VAL . . . . . 0.4 ' CG2' ' HB2' ' A' ' 54' ' ' SER . 0.8 OUTLIER . . . . . 0 C--N 1.325 -0.5 0 O-C-N 124.527 1.142 . . . . 0.0 109.293 -179.98 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 13.8 p . . . . . 0 N--CA 1.453 -0.301 0 N-CA-C 109.976 -0.379 . . . . 0.0 109.976 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . 0.836 HD11 ' O ' ' A' ' 22' ' ' SER . 0.4 OUTLIER -73.26 -9.8 59.09 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.502 1.126 . . . . 0.0 109.322 179.983 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 54' ' ' SER . . . . . 1.021 ' O ' HG22 ' A' ' 57' ' ' VAL . 0.9 OUTLIER -96.35 -55.16 3.03 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.516 1.135 . . . . 0.0 110.004 -179.999 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -51.78 -39.34 58.47 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.508 1.13 . . . . 0.0 109.312 -179.987 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . 0.631 ' HG3' HG13 ' A' ' 57' ' ' VAL . 3.0 pt-20 -55.24 -29.58 58.31 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.485 1.116 . . . . 0.0 110.318 179.971 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 57' ' ' VAL . . . . . 1.021 HG22 ' O ' ' A' ' 54' ' ' SER . 3.2 m -91.87 -22.76 5.95 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.512 1.133 . . . . 0.0 109.3 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 101.29 39.43 3.04 Favored Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.53 1.144 . . . . 0.0 111.032 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 59' ' ' LEU . . . . . 0.564 HD12 ' HB3' ' A' ' 54' ' ' SER . 15.6 mt -85.62 140.91 30.2 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.498 0.764 . . . . 0.0 109.32 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 32.4 mt-10 -138.45 164.53 29.13 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.489 1.118 . . . . 0.0 110.353 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 39.7 mt -59.88 126.6 17.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.472 1.107 . . . . 0.0 109.294 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 122.73 -35.64 3.37 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.518 1.136 . . . . 0.0 110.989 179.974 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 63' ' ' ASP . . . . . 0.565 ' HB3' HD13 ' A' ' 95' ' ' ILE . 72.5 m-20 -49.94 98.08 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.468 0.746 . . . . 0.0 109.301 -179.979 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 64' ' ' GLN . . . . . 0.575 ' HB2' ' CD2' ' A' ' 44' ' ' PHE . 58.2 tt0 -83.05 123.07 29.13 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.501 1.126 . . . . 0.0 110.319 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 65' ' ' ILE . . . . . 0.617 ' CG2' ' CG2' ' A' ' 68' ' ' VAL . 2.6 mt -76.99 109.49 11.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.504 1.127 . . . . 0.0 109.275 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 66' ' ' VAL . . . . . 0.628 HG22 ' O ' ' A' ' 94' ' ' SER . 23.3 m -100.75 -24.34 4.13 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.472 1.107 . . . . 0.0 109.278 179.976 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . 0.442 ' HG2' ' N ' ' A' ' 68' ' ' VAL . 29.6 tt0 -149.8 148.7 29.5 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.441 1.088 . . . . 0.0 110.318 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 68' ' ' VAL . . . . . 0.723 ' O ' HG23 ' A' ' 71' ' ' VAL . 95.3 t -148.25 121.56 1.8 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.5 1.125 . . . . 0.0 109.311 179.98 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 69' ' ' ASN . . . . . 0.774 ' ND2' HD23 ' A' ' 91' ' ' LEU . 1.1 t-20 51.07 26.46 2.8 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.538 1.149 . . . . 0.0 109.301 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 86.47 22.28 48.04 Favored Glycine 0 CA--C 1.529 0.959 0 O-C-N 124.488 1.117 . . . . 0.0 111.023 -179.954 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 71' ' ' VAL . . . . . 0.723 HG23 ' O ' ' A' ' 68' ' ' VAL . 81.3 t -96.17 158.76 3.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.479 0.752 . . . . 0.0 109.328 179.958 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 3.0 t0 -93.83 91.24 6.86 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.457 1.098 . . . . 0.0 109.309 -179.983 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 73' ' ' PHE . . . . . 0.842 ' CD1' HD12 ' A' ' 76' ' ' LEU . 5.1 m-85 -96.91 17.47 16.75 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.466 1.104 . . . . 0.0 111.04 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -67.48 -30.59 70.32 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.505 1.128 . . . . 0.0 110.024 179.97 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 75.4 m-20 -148.79 56.02 1.02 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.476 1.11 . . . . 0.0 109.332 -179.977 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 76' ' ' LEU . . . . . 0.842 HD12 ' CD1' ' A' ' 73' ' ' PHE . 6.3 mt -89.59 -166.99 1.73 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.496 1.123 . . . . 0.0 109.312 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 37.3 t70 -130.73 170.38 14.43 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.453 1.095 . . . . 0.0 109.315 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 78' ' ' HIS . . . . . . . . . . . . . 64.6 t-80 -71.59 -6.67 42.57 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.492 1.12 . . . . 0.0 109.567 -179.987 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 4.1 mmtt -108.62 -37.18 5.99 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.486 1.116 . . . . 0.0 109.294 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 80' ' ' GLU . . . . . 0.705 ' CB ' HD22 ' A' ' 76' ' ' LEU . 3.0 mm-40 -78.42 -38.6 41.11 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.526 1.141 . . . . 0.0 110.284 -179.979 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 81' ' ' ALA . . . . . 0.464 ' HA ' HD13 ' A' ' 76' ' ' LEU . . . -69.8 -30.89 68.54 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.46 1.1 . . . . 0.0 109.288 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 82' ' ' VAL . . . . . 0.813 HG12 ' CE ' ' A' ' 86' ' ' LYS . 11.5 t -79.63 -48.05 21.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.535 1.147 . . . . 0.0 109.333 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 45.0 t30 -54.66 -45.94 73.91 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.5 1.125 . . . . 0.0 109.31 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 84' ' ' VAL . . . . . 0.56 HG11 ' HE1' ' A' ' 73' ' ' PHE . 71.2 t -67.81 -24.97 31.46 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 O-C-N 124.522 1.139 . . . . 0.0 109.288 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 85' ' ' LEU . . . . . 0.419 HD23 ' HA ' ' A' ' 85' ' ' LEU . 15.2 mt -81.05 -40.41 24.24 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.546 1.154 . . . . 0.0 109.332 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 86' ' ' LYS . . . . . 0.813 ' CE ' HG12 ' A' ' 82' ' ' VAL . 0.9 OUTLIER -84.49 -1.51 55.85 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.484 1.115 . . . . 0.0 109.271 -179.987 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 9.3 t -55.66 -66.67 0.38 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.447 1.092 . . . . 0.0 109.987 -179.982 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 88' ' ' SER . . . . . 0.855 ' O ' HD11 ' A' ' 91' ' ' LEU . 0.5 OUTLIER -128.77 176.74 7.58 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.508 1.13 . . . . 0.0 109.994 179.969 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 21.9 mmt85 -82.53 -58.22 3.01 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.489 1.118 . . . . 0.0 110.28 -179.932 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -78.94 108.97 12.81 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.535 1.147 . . . . 0.0 109.986 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 91' ' ' LEU . . . . . 0.855 HD11 ' O ' ' A' ' 88' ' ' SER . 1.1 mt -133.08 143.58 49.42 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.556 1.16 . . . . 0.0 109.334 179.954 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 92' ' ' THR . . . . . 0.559 ' OG1' ' CE2' ' A' ' 20' ' ' PHE . 18.8 m -103.82 100.95 10.76 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.564 1.165 . . . . 0.0 110.427 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 93' ' ' ILE . . . . . 0.548 HG23 HG23 ' A' ' 65' ' ' ILE . 15.4 mt -89.48 132.77 33.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.529 1.143 . . . . 0.0 109.329 180.0 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 94' ' ' SER . . . . . 0.628 ' O ' HG22 ' A' ' 66' ' ' VAL . 0.5 OUTLIER -114.82 102.83 10.37 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.461 1.101 . . . . 0.0 110.019 179.998 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 95' ' ' ILE . . . . . 0.565 HD13 ' HB3' ' A' ' 63' ' ' ASP . 1.6 pt -104.82 167.46 2.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.497 1.123 . . . . 0.0 109.345 179.966 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 96' ' ' VAL . . . . . 0.87 ' HB ' ' HB2' ' A' ' 99' ' ' ALA . 73.3 t -104.87 29.56 0.89 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.481 1.113 . . . . 0.0 109.304 -179.977 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 97' ' ' ALA . . . . . 0.415 ' O ' ' O ' ' A' ' 96' ' ' VAL . . . 45.29 94.58 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.522 1.139 . . . . 0.0 109.268 179.978 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . 53.44 54.88 9.43 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.487 1.117 . . . . 0.0 109.271 179.958 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 99' ' ' ALA . . . . . 0.87 ' HB2' ' HB ' ' A' ' 96' ' ' VAL . . . -62.77 -69.92 0.23 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.515 1.134 . . . . 0.0 109.273 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . -102.59 59.71 0.54 Allowed Glycine 0 CA--C 1.529 0.954 0 O-C-N 124.514 1.134 . . . . 0.0 111.019 -179.99 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -71.19 -25.43 62.52 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.494 0.761 . . . . 0.0 110.279 -179.974 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -66.88 -27.52 67.58 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.534 1.146 . . . . 0.0 110.275 -179.982 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 103' ' ' LEU . . . . . 0.456 HD23 ' HA ' ' A' ' 103' ' ' LEU . 14.8 mt -53.93 -38.94 65.43 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.462 1.101 . . . . 0.0 109.306 179.969 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 104' ' ' PHE . . . . . 0.408 ' CZ ' ' O ' ' A' ' 45' ' ' ILE . 49.0 m-85 . . . . . 0 C--N 1.325 -0.48 0 O-C-N 124.481 1.113 . . . . 0.0 111.022 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 18.3 mt-10 . . . . . 0 N--CA 1.453 -0.313 0 N-CA-C 110.298 -0.26 . . . . 0.0 110.298 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . 0.863 ' HE2' HD11 ' A' ' 95' ' ' ILE . 0.0 OUTLIER -116.19 144.87 43.61 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.453 1.095 . . . . 0.0 109.287 -180.0 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -92.64 135.27 34.23 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.518 1.136 . . . . 0.0 109.278 179.974 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 19' ' ' VAL . . . . . 0.435 HG23 ' O ' ' A' ' 93' ' ' ILE . 0.1 OUTLIER -135.46 116.84 19.87 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.451 1.095 . . . . 0.0 109.271 179.986 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 0.9 OUTLIER -95.01 110.49 22.39 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.46 1.1 . . . . 0.0 111.009 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 21' ' ' ILE . . . . . 0.538 HG23 ' HG ' ' A' ' 53' ' ' LEU . 28.5 mm -105.61 109.78 28.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.535 1.147 . . . . 0.0 109.298 -180.0 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 22' ' ' SER . . . . . 0.484 ' O ' HD21 ' A' ' 53' ' ' LEU . 55.8 p -112.94 134.78 54.29 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.528 1.143 . . . . 0.0 109.978 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 2.9 mm? . . . . . 0 C--N 1.325 -0.49 0 O-C-N 124.496 1.123 . . . . 0.0 109.309 179.974 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.947 0 N-CA-C 111.039 -0.824 . . . . 0.0 111.039 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 31' ' ' CYS . . . . . 0.433 ' HA ' ' O ' ' A' ' 47' ' ' HIS . 26.4 p -112.7 146.79 38.09 Favored 'General case' 0 C--N 1.325 -0.469 0 N-CA-C 108.297 -1.001 . . . . 0.0 108.297 -179.984 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -108.77 138.66 44.74 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.533 1.146 . . . . 0.0 110.03 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 33' ' ' ILE . . . . . 0.541 HD11 HG23 ' A' ' 82' ' ' VAL . 11.5 pt -106.29 146.55 12.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.515 1.134 . . . . 0.0 109.275 -179.936 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 53.6 p -128.43 160.05 33.49 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.522 1.139 . . . . 0.0 109.98 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 22.1 p -89.32 147.87 23.86 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.473 1.108 . . . . 0.0 109.968 -179.984 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -100.59 161.82 18.77 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.519 1.137 . . . . 0.0 110.994 179.976 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 -170.63 0.81 Allowed 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.47 1.774 . . . . 0.0 111.011 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 0.8 OUTLIER -73.19 -30.35 30.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.507 1.13 . . . . 0.0 109.332 179.983 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 4.2 pt20 -78.2 -29.66 48.54 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.433 1.083 . . . . 0.0 110.315 179.979 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 40' ' ' LYS . . . . . 0.95 ' HG2' HD11 ' A' ' 103' ' ' LEU . 0.4 OUTLIER -137.19 61.91 35.74 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.548 1.155 . . . . 0.0 109.31 179.953 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 41' ' ' PRO . . . . . 0.467 ' HD3' ' N ' ' A' ' 40' ' ' LYS . 18.1 Cg_endo -75.03 146.75 32.92 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.522 1.801 . . . . 0.0 110.982 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 141.67 -160.24 26.96 Favored Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.461 1.101 . . . . 0.0 110.988 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 11.7 mm -115.23 124.95 72.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.548 0.793 . . . . 0.0 109.322 179.96 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 44' ' ' PHE . . . . . 0.594 ' CD2' HD12 ' A' ' 103' ' ' LEU . 3.4 m-85 -132.78 136.92 46.61 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.509 1.131 . . . . 0.0 111.017 179.958 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 45' ' ' ILE . . . . . 0.461 ' O ' ' CE2' ' A' ' 104' ' ' PHE . 8.4 mt -63.06 143.38 15.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.498 1.124 . . . . 0.0 109.286 -179.963 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 5.7 p -111.95 -36.19 5.47 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.548 1.155 . . . . 0.0 109.997 -179.984 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 47' ' ' HIS . . . . . 0.433 ' O ' ' HA ' ' A' ' 31' ' ' CYS . 63.4 t-80 -157.17 149.11 22.59 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.518 1.136 . . . . 0.0 109.622 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--N 1.325 -0.479 0 O-C-N 124.506 1.129 . . . . 0.0 109.339 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 58.5 p . . . . . 0 N--CA 1.453 -0.31 0 N-CA-C 110.005 -0.368 . . . . 0.0 110.005 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . 0.538 ' HG ' HG23 ' A' ' 21' ' ' ILE . 12.1 tp -76.63 -18.75 58.42 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.457 1.098 . . . . 0.0 109.269 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 54' ' ' SER . . . . . 0.951 ' O ' HG22 ' A' ' 57' ' ' VAL . 1.1 m -95.62 -46.06 6.79 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.549 1.156 . . . . 0.0 110.004 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -58.79 -35.5 72.92 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.515 1.134 . . . . 0.0 109.298 -179.985 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . 0.617 ' HG3' HG13 ' A' ' 57' ' ' VAL . 2.8 pt-20 -59.95 -30.04 68.81 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.46 1.1 . . . . 0.0 110.291 179.979 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 57' ' ' VAL . . . . . 0.951 HG22 ' O ' ' A' ' 54' ' ' SER . 4.1 m -90.84 -14.98 8.62 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.457 1.098 . . . . 0.0 109.293 -179.969 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 96.39 27.43 9.93 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.52 1.138 . . . . 0.0 111.004 179.976 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 59' ' ' LEU . . . . . 0.57 HD23 ' OD2' ' A' ' 63' ' ' ASP . 10.9 mt -75.3 141.74 43.36 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.497 0.763 . . . . 0.0 109.307 179.977 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 29.9 mt-10 -140.54 171.93 13.43 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.537 1.148 . . . . 0.0 110.326 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 61' ' ' ILE . . . . . 0.412 ' O ' ' CG ' ' A' ' 101' ' ' ARG . 30.9 mt -67.12 132.53 32.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.499 1.124 . . . . 0.0 109.328 179.957 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 113.85 -32.75 5.83 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.471 1.107 . . . . 0.0 110.974 179.968 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 63' ' ' ASP . . . . . 0.593 ' CG ' HD13 ' A' ' 95' ' ' ILE . 43.2 m-20 -52.55 98.98 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.47 0.747 . . . . 0.0 109.318 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 64' ' ' GLN . . . . . 0.58 ' HB2' ' CD2' ' A' ' 44' ' ' PHE . 41.7 tt0 -82.65 122.61 28.35 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.511 1.132 . . . . 0.0 110.303 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 65' ' ' ILE . . . . . 0.604 ' CG2' ' CG2' ' A' ' 68' ' ' VAL . 92.5 mt -73.96 108.19 5.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.509 1.131 . . . . 0.0 109.259 -179.969 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 66' ' ' VAL . . . . . 0.785 HG22 ' O ' ' A' ' 94' ' ' SER . 12.8 m -96.66 -23.28 4.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.534 1.146 . . . . 0.0 109.275 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . 0.427 ' HA ' ' O ' ' A' ' 71' ' ' VAL . 38.0 tt0 -152.47 154.42 35.47 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.503 1.127 . . . . 0.0 110.299 179.973 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 68' ' ' VAL . . . . . 0.604 ' CG2' ' CG2' ' A' ' 65' ' ' ILE . 77.4 t -152.32 114.6 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 O-C-N 124.478 1.111 . . . . 0.0 109.29 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 69' ' ' ASN . . . . . 0.864 ' ND2' HD23 ' A' ' 91' ' ' LEU . 1.5 t-20 58.83 17.04 4.92 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.573 1.171 . . . . 0.0 109.348 -179.97 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 100.13 -1.2 56.21 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.5 1.125 . . . . 0.0 110.976 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 71' ' ' VAL . . . . . 0.464 HG21 ' CG1' ' A' ' 84' ' ' VAL . 58.4 t -75.87 145.16 11.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.494 0.761 . . . . 0.0 109.293 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 2.1 t0 -84.17 91.16 7.64 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.488 1.118 . . . . 0.0 109.316 -179.969 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 73' ' ' PHE . . . . . 0.803 ' CD1' HD12 ' A' ' 76' ' ' LEU . 3.1 m-85 -88.15 35.52 0.75 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.525 1.141 . . . . 0.0 111.0 -179.94 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 2.8 t -70.34 -65.49 0.72 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.5 1.125 . . . . 0.0 109.977 -179.945 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 2.4 m-80 -119.18 54.79 0.96 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.502 1.126 . . . . 0.0 109.246 -179.952 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 76' ' ' LEU . . . . . 0.803 HD12 ' CD1' ' A' ' 73' ' ' PHE . 6.6 mt -81.42 -166.38 1.16 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.454 1.096 . . . . 0.0 109.315 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 28.7 t70 -135.68 169.52 17.42 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.534 1.147 . . . . 0.0 109.343 179.965 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 78' ' ' HIS . . . . . . . . . . . . . 61.3 t-80 -70.58 -7.18 42.06 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.462 1.101 . . . . 0.0 109.581 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -108.22 -37.14 6.1 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.52 1.138 . . . . 0.0 109.315 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 80' ' ' GLU . . . . . 0.736 ' O ' HG23 ' A' ' 84' ' ' VAL . 2.7 mt-10 -76.53 -37.18 57.09 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.551 1.157 . . . . 0.0 110.292 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -72.66 -40.63 66.17 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.546 1.154 . . . . 0.0 109.281 179.977 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 82' ' ' VAL . . . . . 0.541 HG23 HD11 ' A' ' 33' ' ' ILE . 4.4 t -65.75 -52.17 53.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.495 1.122 . . . . 0.0 109.309 179.959 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 83' ' ' ASN . . . . . 0.462 ' HA ' ' CD ' ' A' ' 86' ' ' LYS . 6.7 t30 -53.43 -46.57 69.85 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.475 1.109 . . . . 0.0 109.298 -179.958 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 84' ' ' VAL . . . . . 0.736 HG23 ' O ' ' A' ' 80' ' ' GLU . 93.1 t -67.71 -22.13 28.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.445 1.09 . . . . 0.0 109.253 -179.97 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 25.3 mt -85.9 -31.56 22.12 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.491 1.119 . . . . 0.0 109.288 -179.97 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 86' ' ' LYS . . . . . 0.522 ' HD2' HG12 ' A' ' 82' ' ' VAL . 0.0 OUTLIER -97.2 -0.99 45.87 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.506 1.129 . . . . 0.0 109.346 179.971 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 87' ' ' SER . . . . . 0.458 ' N ' ' O ' ' A' ' 83' ' ' ASN . 8.5 t -53.18 -70.36 0.09 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.487 1.117 . . . . 0.0 110.032 -179.97 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 88' ' ' SER . . . . . 0.425 ' O ' HD11 ' A' ' 91' ' ' LEU . 0.4 OUTLIER -116.74 -178.71 3.49 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.495 1.122 . . . . 0.0 110.002 179.955 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 12.2 mmt85 -83.99 -56.76 3.5 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.523 1.139 . . . . 0.0 110.279 -179.98 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -85.78 117.66 24.79 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.475 1.109 . . . . 0.0 110.035 179.976 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 91' ' ' LEU . . . . . 0.864 HD23 ' ND2' ' A' ' 69' ' ' ASN . 1.1 mt -135.68 147.29 48.48 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.463 1.102 . . . . 0.0 109.293 179.958 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 92.7 m -109.93 101.18 10.04 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.45 1.094 . . . . 0.0 110.365 -179.952 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 93' ' ' ILE . . . . . 0.435 ' O ' HG23 ' A' ' 19' ' ' VAL . 11.2 mt -89.07 136.15 24.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.481 1.113 . . . . 0.0 109.28 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 94' ' ' SER . . . . . 0.785 ' O ' HG22 ' A' ' 66' ' ' VAL . 0.3 OUTLIER -118.74 103.89 10.08 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.491 1.119 . . . . 0.0 110.011 -179.994 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 95' ' ' ILE . . . . . 0.863 HD11 ' HE2' ' A' ' 17' ' ' LYS . 1.1 pt -100.52 174.56 0.98 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.466 1.104 . . . . 0.0 109.35 179.985 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 96' ' ' VAL . . . . . 0.91 ' HB ' ' HB2' ' A' ' 99' ' ' ALA . 68.9 t -114.3 31.75 1.56 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.49 1.119 . . . . 0.0 109.303 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 97' ' ' ALA . . . . . 0.555 ' H ' HD12 ' A' ' 95' ' ' ILE . . . 45.24 96.15 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.548 1.155 . . . . 0.0 109.279 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . 46.99 59.17 4.17 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.55 1.156 . . . . 0.0 109.276 179.966 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 99' ' ' ALA . . . . . 0.91 ' HB2' ' HB ' ' A' ' 96' ' ' VAL . . . -66.04 -70.39 0.24 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.519 1.137 . . . . 0.0 109.276 -179.982 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . -105.53 60.5 0.39 Allowed Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.431 1.082 . . . . 0.0 111.009 179.971 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 101' ' ' ARG . . . . . 0.412 ' CG ' ' O ' ' A' ' 61' ' ' ILE . 0.0 OUTLIER -72.26 -31.46 65.79 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.498 0.763 . . . . 0.0 110.301 179.995 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 11.6 pt-20 -61.38 -25.45 67.18 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.508 1.13 . . . . 0.0 110.279 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 103' ' ' LEU . . . . . 0.95 HD11 ' HG2' ' A' ' 40' ' ' LYS . 86.3 mt -54.18 -25.09 20.81 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.501 1.126 . . . . 0.0 109.348 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 104' ' ' PHE . . . . . 0.461 ' CE2' ' O ' ' A' ' 45' ' ' ILE . 86.4 m-85 . . . . . 0 C--N 1.325 -0.474 0 O-C-N 124.472 1.107 . . . . 0.0 111.025 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . 0.418 ' HG3' HG22 ' A' ' 96' ' ' VAL . 20.9 mt-10 . . . . . 0 N--CA 1.454 -0.263 0 N-CA-C 110.292 -0.262 . . . . 0.0 110.292 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . 0.548 ' CE ' HD11 ' A' ' 95' ' ' ILE . 0.1 OUTLIER -111.21 144.13 40.86 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.48 1.112 . . . . 0.0 109.347 179.969 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . 0.614 ' HD3' HG23 ' A' ' 92' ' ' THR . 0.2 OUTLIER -94.8 139.01 31.86 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.512 1.133 . . . . 0.0 109.311 -179.999 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 19' ' ' VAL . . . . . 0.455 HG23 ' HB ' ' A' ' 93' ' ' ILE . 3.5 m -140.64 124.22 17.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.556 1.16 . . . . 0.0 109.283 179.988 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 20' ' ' PHE . . . . . 0.598 ' CE2' ' OG1' ' A' ' 92' ' ' THR . 0.1 OUTLIER -96.99 122.16 39.67 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.491 1.119 . . . . 0.0 110.972 -179.977 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 21' ' ' ILE . . . . . 0.694 HG23 ' HB3' ' A' ' 53' ' ' LEU . 9.3 mm -108.15 118.58 56.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.472 1.108 . . . . 0.0 109.32 179.972 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 79.1 p -110.93 113.84 26.71 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.445 1.091 . . . . 0.0 109.98 -179.989 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 3.9 mm? . . . . . 0 C--N 1.325 -0.492 0 O-C-N 124.521 1.138 . . . . 0.0 109.273 -179.997 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.985 0 N-CA-C 111.006 -0.838 . . . . 0.0 111.006 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 31' ' ' CYS . . . . . 0.435 ' HA ' ' O ' ' A' ' 47' ' ' HIS . 20.1 p -117.4 143.3 46.13 Favored 'General case' 0 C--N 1.325 -0.476 0 N-CA-C 108.289 -1.004 . . . . 0.0 108.289 179.983 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -99.4 137.65 37.6 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.485 1.116 . . . . 0.0 109.963 -179.971 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 33' ' ' ILE . . . . . 0.525 HD11 ' CG2' ' A' ' 82' ' ' VAL . 11.8 pt -112.34 144.67 19.62 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.504 1.127 . . . . 0.0 109.262 -179.971 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 14.7 m -127.27 141.05 51.82 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.533 1.146 . . . . 0.0 110.002 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 22.3 p -78.54 127.71 32.53 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.472 1.107 . . . . 0.0 109.993 -179.969 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -74.35 166.09 54.78 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.451 1.094 . . . . 0.0 111.012 180.0 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.06 -173.43 1.57 Allowed 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.464 1.77 . . . . 0.0 110.994 179.98 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 0.7 OUTLIER -71.41 -29.99 37.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.437 1.085 . . . . 0.0 109.282 -179.96 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 15.1 pt20 -78.2 -29.25 48.34 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.486 1.116 . . . . 0.0 110.316 179.979 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 40' ' ' LYS . . . . . 0.458 ' N ' ' HD3' ' A' ' 41' ' ' PRO . 7.1 tttt -137.84 62.54 34.67 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.522 1.139 . . . . 0.0 109.33 179.967 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 41' ' ' PRO . . . . . 0.458 ' HD3' ' N ' ' A' ' 40' ' ' LYS . 18.3 Cg_endo -75.04 144.7 30.42 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.483 1.781 . . . . 0.0 111.017 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 152.46 -153.59 24.98 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.513 1.133 . . . . 0.0 110.972 -179.967 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 43' ' ' ILE . . . . . 0.698 HG22 HD12 ' A' ' 65' ' ' ILE . 33.5 mm -126.61 126.56 69.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.502 0.766 . . . . 0.0 109.279 -179.972 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 44' ' ' PHE . . . . . 0.594 ' CD2' ' HB2' ' A' ' 64' ' ' GLN . 1.9 m-85 -133.92 151.61 51.56 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.468 1.105 . . . . 0.0 111.015 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 45' ' ' ILE . . . . . 0.463 ' O ' ' CE2' ' A' ' 104' ' ' PHE . 26.2 mt -83.51 142.12 13.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.515 1.134 . . . . 0.0 109.323 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 28.5 t -110.34 -36.26 5.84 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.566 1.167 . . . . 0.0 109.975 -179.98 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 47' ' ' HIS . . . . . 0.435 ' O ' ' HA ' ' A' ' 31' ' ' CYS . 58.4 t-80 -157.69 156.25 31.39 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.473 1.108 . . . . 0.0 109.593 -179.974 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--N 1.325 -0.471 0 O-C-N 124.518 1.136 . . . . 0.0 109.343 -179.994 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 98.1 p . . . . . 0 N--CA 1.453 -0.294 0 N-CA-C 110.032 -0.359 . . . . 0.0 110.032 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . 0.694 ' HB3' HG23 ' A' ' 21' ' ' ILE . 0.5 OUTLIER -61.8 -15.67 43.5 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.52 1.137 . . . . 0.0 109.289 -179.966 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 54' ' ' SER . . . . . 0.517 ' O ' HG22 ' A' ' 57' ' ' VAL . 0.1 OUTLIER -92.35 -41.88 10.1 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.48 1.113 . . . . 0.0 110.006 179.995 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -63.16 -44.45 95.46 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.46 1.1 . . . . 0.0 109.339 179.961 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . 0.566 ' HG3' HG13 ' A' ' 57' ' ' VAL . 8.6 pt-20 -52.36 -34.67 48.7 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.494 1.121 . . . . 0.0 110.347 179.958 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 57' ' ' VAL . . . . . 0.566 HG13 ' HG3' ' A' ' 56' ' ' GLU . 26.9 m -91.72 -19.73 6.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.498 1.124 . . . . 0.0 109.325 179.968 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 92.0 25.81 21.09 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.47 1.106 . . . . 0.0 111.002 -179.988 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 59' ' ' LEU . . . . . 0.456 ' HG ' HG23 ' A' ' 57' ' ' VAL . 13.9 mt -66.44 138.11 57.32 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.477 0.751 . . . . 0.0 109.331 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 24.5 mt-10 -127.74 168.86 14.51 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.524 1.14 . . . . 0.0 110.312 -179.975 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 61' ' ' ILE . . . . . 0.451 ' O ' ' CG ' ' A' ' 101' ' ' ARG . 22.9 mt -62.17 139.38 20.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.478 1.111 . . . . 0.0 109.313 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 106.59 -33.43 6.45 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.513 1.133 . . . . 0.0 111.057 -179.981 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 63' ' ' ASP . . . . . 0.549 ' CG ' HD13 ' A' ' 95' ' ' ILE . 65.9 m-20 -49.7 97.21 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.531 0.783 . . . . 0.0 109.271 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 64' ' ' GLN . . . . . 0.635 ' HB3' ' HB3' ' A' ' 99' ' ' ALA . 50.5 tt0 -83.2 127.25 33.46 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.521 1.138 . . . . 0.0 110.314 179.966 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 65' ' ' ILE . . . . . 0.746 HG23 HG23 ' A' ' 93' ' ' ILE . 17.5 mt -80.57 109.12 14.67 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.434 0 O-C-N 124.483 1.115 . . . . 0.0 109.317 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 66' ' ' VAL . . . . . 0.509 HG22 ' O ' ' A' ' 94' ' ' SER . 3.5 m -98.18 -25.92 3.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.529 1.143 . . . . 0.0 109.303 -179.983 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . 0.435 ' HA ' ' O ' ' A' ' 71' ' ' VAL . 27.2 tt0 -145.28 153.15 40.98 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.523 1.139 . . . . 0.0 110.288 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 68' ' ' VAL . . . . . 0.624 ' CG2' ' CG2' ' A' ' 65' ' ' ILE . 86.3 t -152.62 112.58 0.41 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.509 1.131 . . . . 0.0 109.334 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 69' ' ' ASN . . . . . 0.819 HD22 HD23 ' A' ' 91' ' ' LEU . 1.1 t-20 53.29 25.73 4.69 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.474 1.109 . . . . 0.0 109.319 -179.958 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 88.95 18.63 53.79 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.547 1.155 . . . . 0.0 111.025 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 71' ' ' VAL . . . . . 0.474 HG23 ' O ' ' A' ' 68' ' ' VAL . 70.1 t -100.26 131.6 47.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.516 0.774 . . . . 0.0 109.286 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 2.5 t0 -68.5 84.94 0.28 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.502 1.126 . . . . 0.0 109.284 -179.978 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 73' ' ' PHE . . . . . 0.759 ' CD1' HD12 ' A' ' 76' ' ' LEU . 2.4 m-85 -87.89 18.33 4.23 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.513 1.133 . . . . 0.0 110.962 -179.965 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -74.75 -55.3 6.0 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.518 1.137 . . . . 0.0 109.964 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 85.0 m-20 -112.56 49.04 0.95 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.505 1.128 . . . . 0.0 109.294 -179.953 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 76' ' ' LEU . . . . . 0.759 HD12 ' CD1' ' A' ' 73' ' ' PHE . 6.0 mt -90.26 -166.27 1.55 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.479 1.112 . . . . 0.0 109.297 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 25.0 t70 -131.98 169.26 16.56 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.54 1.15 . . . . 0.0 109.288 179.964 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 78' ' ' HIS . . . . . . . . . . . . . 60.6 t-80 -71.3 -6.38 39.46 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.525 1.141 . . . . 0.0 109.637 179.971 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 11.9 mmtt -109.76 -36.64 5.87 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.495 1.122 . . . . 0.0 109.299 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 80' ' ' GLU . . . . . 0.698 ' CB ' HD22 ' A' ' 76' ' ' LEU . 4.4 mm-40 -76.97 -37.11 55.82 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.506 1.129 . . . . 0.0 110.266 179.994 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 81' ' ' ALA . . . . . 0.422 ' CB ' HG13 ' A' ' 43' ' ' ILE . . . -71.26 -35.23 71.32 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.467 1.104 . . . . 0.0 109.35 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 82' ' ' VAL . . . . . 0.838 HG12 ' CE ' ' A' ' 86' ' ' LYS . 41.1 t -79.13 -36.64 18.55 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 O-C-N 124.509 1.131 . . . . 0.0 109.301 179.983 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 2.9 t30 -63.03 -46.95 85.16 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.504 1.128 . . . . 0.0 109.294 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 84' ' ' VAL . . . . . 0.466 HG11 ' HE1' ' A' ' 73' ' ' PHE . 78.9 t -70.04 -33.26 54.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.477 1.111 . . . . 0.0 109.301 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 15.1 mt -73.12 -36.77 66.79 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.455 1.097 . . . . 0.0 109.297 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 86' ' ' LYS . . . . . 0.838 ' CE ' HG12 ' A' ' 82' ' ' VAL . 9.6 ptpt -90.29 -3.11 57.98 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.519 1.137 . . . . 0.0 109.323 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 46.7 t -59.13 -60.23 4.2 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.533 1.145 . . . . 0.0 109.995 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -120.19 -176.11 3.13 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.482 1.113 . . . . 0.0 109.989 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 17.0 mmt180 -91.9 -55.42 3.46 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.492 1.12 . . . . 0.0 110.308 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 1.4 m -90.63 121.03 32.19 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.519 1.137 . . . . 0.0 110.014 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 91' ' ' LEU . . . . . 0.819 HD23 HD22 ' A' ' 69' ' ' ASN . 1.1 mt -140.48 142.67 35.28 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.557 1.161 . . . . 0.0 109.279 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 92' ' ' THR . . . . . 0.614 HG23 ' HD3' ' A' ' 18' ' ' LYS . 16.3 m -98.14 101.02 12.38 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.527 1.142 . . . . 0.0 110.411 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 93' ' ' ILE . . . . . 0.746 HG23 HG23 ' A' ' 65' ' ' ILE . 21.0 mt -89.85 143.81 10.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.505 1.128 . . . . 0.0 109.269 -179.966 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 94' ' ' SER . . . . . 0.509 ' O ' HG22 ' A' ' 66' ' ' VAL . 0.3 OUTLIER -124.76 103.23 7.98 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.505 1.128 . . . . 0.0 110.006 179.996 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 95' ' ' ILE . . . . . 0.557 HD12 ' H ' ' A' ' 97' ' ' ALA . 1.1 pt -100.35 167.17 2.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.533 1.146 . . . . 0.0 109.332 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 96' ' ' VAL . . . . . 0.847 ' HB ' ' HB2' ' A' ' 99' ' ' ALA . 79.2 t -110.57 35.22 0.69 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.522 1.139 . . . . 0.0 109.331 179.988 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 97' ' ' ALA . . . . . 0.557 ' H ' HD12 ' A' ' 95' ' ' ILE . . . 46.51 95.0 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.551 1.157 . . . . 0.0 109.303 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 98' ' ' ALA . . . . . 0.704 ' HB1' ' HG3' ' A' ' 101' ' ' ARG . . . 44.19 59.49 3.2 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.475 1.109 . . . . 0.0 109.295 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 99' ' ' ALA . . . . . 0.847 ' HB2' ' HB ' ' A' ' 96' ' ' VAL . . . -62.05 -57.52 11.29 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.515 1.134 . . . . 0.0 109.286 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . -113.6 58.74 0.41 Allowed Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.52 1.137 . . . . 0.0 110.985 -179.976 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 101' ' ' ARG . . . . . 0.704 ' HG3' ' HB1' ' A' ' 98' ' ' ALA . 0.0 OUTLIER -71.02 -35.83 72.17 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.474 0.75 . . . . 0.0 110.292 -179.995 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 1.3 pt-20 -57.69 -29.58 64.79 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.522 1.139 . . . . 0.0 110.317 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 69.4 mt -53.17 -38.92 63.2 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.506 1.129 . . . . 0.0 109.295 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 104' ' ' PHE . . . . . 0.463 ' CE2' ' O ' ' A' ' 45' ' ' ILE . 65.1 m-85 . . . . . 0 C--N 1.326 -0.451 0 O-C-N 124.528 1.143 . . . . 0.0 110.975 -179.967 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 21.8 mt-10 . . . . . 0 N--CA 1.452 -0.328 0 N-CA-C 110.336 -0.246 . . . . 0.0 110.336 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . 0.776 ' HE2' HD11 ' A' ' 95' ' ' ILE . 0.0 OUTLIER -113.71 143.14 45.11 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.511 1.132 . . . . 0.0 109.316 179.992 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -95.42 128.89 42.64 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.468 1.105 . . . . 0.0 109.312 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 19' ' ' VAL . . . . . 0.455 HG23 ' HB ' ' A' ' 93' ' ' ILE . 2.5 m -129.08 130.34 68.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.461 1.101 . . . . 0.0 109.299 179.978 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 20' ' ' PHE . . . . . 0.566 ' CD2' ' OG1' ' A' ' 92' ' ' THR . 0.4 OUTLIER -107.25 115.08 29.55 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.517 1.136 . . . . 0.0 110.995 179.991 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 21' ' ' ILE . . . . . 0.474 HG22 ' CD2' ' A' ' 23' ' ' LEU . 14.6 mm -103.39 112.6 37.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.482 1.114 . . . . 0.0 109.275 179.974 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 22' ' ' SER . . . . . 0.46 ' C ' HD22 ' A' ' 23' ' ' LEU . 33.5 t -105.08 137.46 42.81 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.516 1.135 . . . . 0.0 109.991 179.973 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.474 ' CD2' HG22 ' A' ' 21' ' ' ILE . 3.4 mm? . . . . . 0 C--N 1.325 -0.486 0 O-C-N 124.486 1.116 . . . . 0.0 109.344 179.962 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.014 0 N-CA-C 111.015 -0.834 . . . . 0.0 111.015 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 28.5 p -120.63 146.67 46.15 Favored 'General case' 0 C--N 1.326 -0.441 0 N-CA-C 108.314 -0.995 . . . . 0.0 108.314 -179.963 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -105.11 140.38 38.37 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.513 1.133 . . . . 0.0 109.961 -179.95 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 33' ' ' ILE . . . . . 0.405 HD11 ' CG2' ' A' ' 82' ' ' VAL . 6.6 pt -106.09 148.88 10.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.444 1.09 . . . . 0.0 109.289 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 1.1 p -123.34 168.7 12.16 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.432 1.082 . . . . 0.0 110.04 -179.99 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 11.9 p -109.02 124.5 50.83 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.542 1.151 . . . . 0.0 109.971 179.999 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -74.23 163.24 54.48 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.502 1.126 . . . . 0.0 111.023 179.963 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 -170.98 0.86 Allowed 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.498 1.788 . . . . 0.0 111.013 179.979 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 5.5 tt -72.84 -30.14 31.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.506 1.128 . . . . 0.0 109.296 179.985 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 7.2 pt20 -77.6 -29.99 52.19 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.486 1.116 . . . . 0.0 110.318 -179.997 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 40' ' ' LYS . . . . . 0.56 ' HD3' HD11 ' A' ' 103' ' ' LEU . 27.9 tttp -138.8 62.75 29.25 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.457 1.098 . . . . 0.0 109.262 -179.973 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 41' ' ' PRO . . . . . 0.456 ' HD3' ' N ' ' A' ' 40' ' ' LYS . 18.2 Cg_endo -75.05 145.63 31.5 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.476 1.777 . . . . 0.0 110.961 -179.988 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 155.85 -151.76 23.25 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.494 1.121 . . . . 0.0 111.042 179.985 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 43' ' ' ILE . . . . . 0.575 HG22 ' CD1' ' A' ' 65' ' ' ILE . 13.2 mm -134.32 116.12 21.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.527 0.78 . . . . 0.0 109.306 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 44' ' ' PHE . . . . . 0.591 ' CD2' ' HB2' ' A' ' 64' ' ' GLN . 1.4 m-85 -124.61 150.52 45.9 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.503 1.127 . . . . 0.0 111.026 179.984 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 45' ' ' ILE . . . . . 0.489 HG21 ' CG2' ' A' ' 48' ' ' VAL . 13.7 mt -75.63 136.6 24.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.482 1.114 . . . . 0.0 109.303 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 3.1 p -100.03 -40.41 7.64 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.425 1.078 . . . . 0.0 109.999 179.982 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 57.3 t-80 -146.48 161.96 39.31 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.547 1.154 . . . . 0.0 109.608 179.989 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 48' ' ' VAL . . . . . 0.489 ' CG2' HG21 ' A' ' 45' ' ' ILE . 75.0 t . . . . . 0 C--N 1.325 -0.491 0 O-C-N 124.578 1.174 . . . . 0.0 109.321 -179.981 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 42.6 p . . . . . 0 N--CA 1.453 -0.282 0 N-CA-C 110.01 -0.367 . . . . 0.0 110.01 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . 0.698 HD12 ' CD ' ' A' ' 56' ' ' GLU . 11.9 tp -78.9 -16.01 57.59 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.468 1.105 . . . . 0.0 109.33 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 54' ' ' SER . . . . . 0.809 ' O ' HG22 ' A' ' 57' ' ' VAL . 0.0 OUTLIER -94.99 -39.51 10.14 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.489 1.118 . . . . 0.0 110.003 179.968 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -66.57 -40.52 89.03 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.456 1.097 . . . . 0.0 109.301 -179.998 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . 0.698 ' CD ' HD12 ' A' ' 53' ' ' LEU . 6.8 pt-20 -54.39 -37.33 64.9 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.517 1.135 . . . . 0.0 110.286 -179.992 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 57' ' ' VAL . . . . . 0.809 HG22 ' O ' ' A' ' 54' ' ' SER . 13.5 m -82.5 -26.7 8.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.498 1.124 . . . . 0.0 109.305 179.996 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 108.26 37.82 2.06 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.46 1.1 . . . . 0.0 111.028 -179.963 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 59' ' ' LEU . . . . . 0.512 ' HG ' HG23 ' A' ' 57' ' ' VAL . 35.4 mt -93.34 142.07 27.73 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.486 0.757 . . . . 0.0 109.277 -179.988 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 29.5 mt-10 -144.11 173.24 11.91 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.506 1.129 . . . . 0.0 110.304 179.971 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 69.2 mt -59.69 131.86 24.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.533 1.146 . . . . 0.0 109.337 179.971 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 62' ' ' GLY . . . . . 0.45 ' O ' ' N ' ' A' ' 64' ' ' GLN . . . 114.98 -41.73 2.1 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.491 1.119 . . . . 0.0 110.975 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 63' ' ' ASP . . . . . 0.629 ' CG ' HD13 ' A' ' 95' ' ' ILE . 84.4 m-20 -44.77 96.35 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.472 0.748 . . . . 0.0 109.338 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 64' ' ' GLN . . . . . 0.591 ' HB2' ' CD2' ' A' ' 44' ' ' PHE . 48.3 tt0 -82.89 122.61 28.47 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.54 1.15 . . . . 0.0 110.314 -179.982 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 65' ' ' ILE . . . . . 0.588 ' CG2' ' CG2' ' A' ' 68' ' ' VAL . 2.5 mp -73.43 110.5 6.99 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.464 1.102 . . . . 0.0 109.262 -179.946 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 66' ' ' VAL . . . . . 0.767 HG22 ' O ' ' A' ' 94' ' ' SER . 20.9 m -99.96 -22.36 4.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.476 1.11 . . . . 0.0 109.308 179.978 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . 0.457 ' HA ' ' O ' ' A' ' 71' ' ' VAL . 32.9 tt0 -152.88 153.9 33.99 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.51 1.131 . . . . 0.0 110.291 179.975 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 68' ' ' VAL . . . . . 0.597 ' HB ' ' CE1' ' A' ' 73' ' ' PHE . 85.6 t -152.79 114.7 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.498 1.124 . . . . 0.0 109.327 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 69' ' ' ASN . . . . . 0.818 ' ND2' HD23 ' A' ' 91' ' ' LEU . 1.1 t-20 56.22 19.68 4.04 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.547 1.155 . . . . 0.0 109.332 -179.948 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 94.56 10.98 57.53 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.445 1.09 . . . . 0.0 110.986 179.986 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 71' ' ' VAL . . . . . 0.593 HG11 HG11 ' A' ' 84' ' ' VAL . 63.8 t -90.54 138.97 18.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.478 0.752 . . . . 0.0 109.285 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 1.1 t70 -75.24 91.15 2.62 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.463 1.102 . . . . 0.0 109.265 -179.997 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 73' ' ' PHE . . . . . 0.778 ' CD1' HD12 ' A' ' 76' ' ' LEU . 3.0 m-85 -92.17 12.94 20.51 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.472 1.108 . . . . 0.0 111.003 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -60.72 -58.12 9.81 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.541 1.151 . . . . 0.0 110.019 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -118.97 59.48 0.83 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.467 1.105 . . . . 0.0 109.275 -179.998 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 76' ' ' LEU . . . . . 0.778 HD12 ' CD1' ' A' ' 73' ' ' PHE . 6.7 mt -94.91 -167.37 1.62 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.506 1.129 . . . . 0.0 109.31 179.971 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 45.1 t0 -132.0 170.84 14.36 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.466 1.103 . . . . 0.0 109.345 179.954 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 78' ' ' HIS . . . . . . . . . . . . . 63.4 t-80 -71.65 -7.23 46.61 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.519 1.137 . . . . 0.0 109.666 179.977 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -107.47 -38.05 6.03 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.478 1.111 . . . . 0.0 109.322 179.996 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 80' ' ' GLU . . . . . 0.698 ' CB ' HD22 ' A' ' 76' ' ' LEU . 2.6 mm-40 -77.04 -37.38 54.93 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.51 1.131 . . . . 0.0 110.295 -179.98 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -72.48 -34.61 67.81 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.567 1.167 . . . . 0.0 109.329 179.97 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 82' ' ' VAL . . . . . 0.788 HG12 ' CE ' ' A' ' 86' ' ' LYS . 39.5 t -77.42 -42.56 30.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.459 1.1 . . . . 0.0 109.264 -179.985 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 40.5 t30 -60.28 -45.8 92.06 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.496 1.123 . . . . 0.0 109.296 179.984 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 84' ' ' VAL . . . . . 0.593 HG11 HG11 ' A' ' 71' ' ' VAL . 76.7 t -70.54 -30.93 44.65 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.535 1.147 . . . . 0.0 109.288 179.997 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 19.0 mt -75.46 -33.06 60.83 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.486 1.116 . . . . 0.0 109.293 -179.968 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 86' ' ' LYS . . . . . 0.788 ' CE ' HG12 ' A' ' 82' ' ' VAL . 0.3 OUTLIER -91.52 -1.72 57.42 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.507 1.129 . . . . 0.0 109.319 179.976 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 1.7 t -54.66 -68.25 0.2 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.505 1.128 . . . . 0.0 110.005 -179.983 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 88' ' ' SER . . . . . 0.774 ' O ' HD11 ' A' ' 91' ' ' LEU . 0.3 OUTLIER -122.48 179.52 4.56 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.452 1.095 . . . . 0.0 110.016 179.987 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 4.2 mmt180 -85.7 -57.24 3.13 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.504 1.128 . . . . 0.0 110.294 -179.995 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -80.88 107.59 13.82 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.463 1.102 . . . . 0.0 109.98 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 91' ' ' LEU . . . . . 0.818 HD23 ' ND2' ' A' ' 69' ' ' ASN . 1.1 mt -131.95 142.56 49.66 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.549 1.156 . . . . 0.0 109.312 -179.986 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 92' ' ' THR . . . . . 0.566 ' OG1' ' CD2' ' A' ' 20' ' ' PHE . 1.1 m -102.37 101.74 12.01 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.424 1.077 . . . . 0.0 110.419 179.978 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 93' ' ' ILE . . . . . 0.5 HG23 HG23 ' A' ' 65' ' ' ILE . 19.4 mt -89.24 138.55 19.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.485 1.116 . . . . 0.0 109.301 -179.978 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 94' ' ' SER . . . . . 0.767 ' O ' HG22 ' A' ' 66' ' ' VAL . 0.3 OUTLIER -121.36 104.41 9.68 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.536 1.148 . . . . 0.0 110.03 179.984 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 95' ' ' ILE . . . . . 0.776 HD11 ' HE2' ' A' ' 17' ' ' LYS . 1.1 pt -100.75 172.14 1.29 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.519 1.137 . . . . 0.0 109.306 -179.98 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 96' ' ' VAL . . . . . 0.902 ' HB ' ' HB2' ' A' ' 99' ' ' ALA . 75.7 t -112.36 32.92 1.11 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.437 1.086 . . . . 0.0 109.288 179.97 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 97' ' ' ALA . . . . . 0.633 ' H ' HD12 ' A' ' 95' ' ' ILE . . . 45.72 95.4 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.486 1.117 . . . . 0.0 109.287 179.936 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 98' ' ' ALA . . . . . 0.602 ' HB1' ' HG3' ' A' ' 101' ' ' ARG . . . 44.98 59.94 3.21 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.504 1.127 . . . . 0.0 109.25 179.996 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 99' ' ' ALA . . . . . 0.902 ' HB2' ' HB ' ' A' ' 96' ' ' VAL . . . -65.4 -68.38 0.37 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.509 1.131 . . . . 0.0 109.286 179.962 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . -101.57 57.01 0.68 Allowed Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.489 1.118 . . . . 0.0 110.998 -179.99 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 101' ' ' ARG . . . . . 0.602 ' HG3' ' HB1' ' A' ' 98' ' ' ALA . 0.0 OUTLIER -71.52 -20.15 62.08 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.492 0.76 . . . . 0.0 110.329 179.949 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -76.02 -14.54 60.22 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.509 1.131 . . . . 0.0 110.307 179.968 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 103' ' ' LEU . . . . . 0.56 HD11 ' HD3' ' A' ' 40' ' ' LYS . 26.2 mt -68.37 -16.64 64.0 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.475 1.109 . . . . 0.0 109.292 179.98 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 104' ' ' PHE . . . . . . . . . . . . . 58.4 m-85 . . . . . 0 C--N 1.325 -0.487 0 O-C-N 124.481 1.113 . . . . 0.0 110.946 -179.956 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . 0.406 ' HA ' ' O ' ' A' ' 95' ' ' ILE . 11.3 mt-10 . . . . . 0 N--CA 1.453 -0.303 0 N-CA-C 110.312 -0.255 . . . . 0.0 110.312 . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . 0.493 ' CE ' HD11 ' A' ' 95' ' ' ILE . 0.1 OUTLIER -130.0 147.46 51.76 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.46 1.1 . . . . 0.0 109.368 179.999 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . 0.458 ' HD3' ' CG2' ' A' ' 92' ' ' THR . 0.0 OUTLIER -98.83 118.65 36.06 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.481 1.113 . . . . 0.0 109.266 -179.923 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 0.7 OUTLIER -126.16 123.46 63.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.491 1.12 . . . . 0.0 109.285 -179.969 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 20' ' ' PHE . . . . . 0.585 ' CE2' ' OG1' ' A' ' 92' ' ' THR . 0.1 OUTLIER -106.81 113.64 27.26 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.489 1.118 . . . . 0.0 111.001 179.982 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 21' ' ' ILE . . . . . 0.493 ' CG1' HD12 ' A' ' 93' ' ' ILE . 24.8 mm -95.95 127.11 48.3 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.461 1.101 . . . . 0.0 109.345 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 22' ' ' SER . . . . . 0.596 ' O ' HD11 ' A' ' 53' ' ' LEU . 0.3 OUTLIER -121.03 123.53 42.6 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.526 1.141 . . . . 0.0 110.009 -179.99 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.458 ' HA ' HD13 ' A' ' 23' ' ' LEU . 4.2 mm? . . . . . 0 C--N 1.325 -0.466 0 O-C-N 124.476 1.11 . . . . 0.0 109.311 -179.995 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.959 0 N-CA-C 111.01 -0.836 . . . . 0.0 111.01 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 31' ' ' CYS . . . . . 0.425 ' HA ' ' O ' ' A' ' 47' ' ' HIS . 9.1 p -125.91 142.19 51.63 Favored 'General case' 0 C--N 1.325 -0.473 0 N-CA-C 108.313 -0.995 . . . . 0.0 108.313 179.972 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -101.04 138.85 37.54 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.497 1.123 . . . . 0.0 109.959 -179.963 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 9.6 pt -115.12 145.08 21.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.532 1.145 . . . . 0.0 109.293 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 1.3 t -130.59 169.14 16.0 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.523 1.14 . . . . 0.0 110.015 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 36.2 p -105.17 131.62 52.42 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.444 1.09 . . . . 0.0 110.029 179.973 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -76.57 170.47 54.96 Favored Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.467 1.104 . . . . 0.0 111.026 179.974 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 -174.15 1.84 Allowed 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.48 1.779 . . . . 0.0 111.004 -179.969 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 0.7 OUTLIER -71.0 -29.81 38.66 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.484 1.115 . . . . 0.0 109.302 -179.969 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 6.7 pt20 -77.27 -30.36 54.29 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.486 1.116 . . . . 0.0 110.304 -179.99 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 40' ' ' LYS . . . . . 0.559 ' HD3' HD11 ' A' ' 103' ' ' LEU . 24.3 tttp -139.0 62.43 26.29 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.504 1.127 . . . . 0.0 109.331 179.993 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 41' ' ' PRO . . . . . 0.454 ' HD3' ' N ' ' A' ' 40' ' ' LYS . 18.6 Cg_endo -74.92 145.31 31.6 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.502 1.791 . . . . 0.0 111.025 179.969 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 154.6 -154.81 25.78 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.502 1.126 . . . . 0.0 110.963 179.962 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 43' ' ' ILE . . . . . 0.586 HG22 HD12 ' A' ' 65' ' ' ILE . 6.7 mm -127.12 118.15 49.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.487 0.757 . . . . 0.0 109.333 -179.966 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 44' ' ' PHE . . . . . 0.567 ' CD2' ' HB2' ' A' ' 64' ' ' GLN . 2.7 m-85 -128.76 137.55 51.61 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.518 1.136 . . . . 0.0 111.03 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 45' ' ' ILE . . . . . 0.594 ' O ' ' CZ ' ' A' ' 104' ' ' PHE . 21.6 mt -63.92 140.28 19.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.581 1.176 . . . . 0.0 109.275 -179.955 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 46' ' ' SER . . . . . 0.503 ' HA ' ' CE1' ' A' ' 104' ' ' PHE . 0.0 OUTLIER -107.1 -34.32 7.19 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.494 1.121 . . . . 0.0 109.958 179.99 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 47' ' ' HIS . . . . . 0.425 ' O ' ' HA ' ' A' ' 31' ' ' CYS . 24.6 t-80 -161.06 147.29 14.69 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.483 1.114 . . . . 0.0 109.574 179.997 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 48' ' ' VAL . . . . . 0.475 HG21 ' HB2' ' A' ' 54' ' ' SER . 1.3 p . . . . . 0 C--N 1.324 -0.527 0 O-C-N 124.515 1.135 . . . . 0.0 109.311 179.991 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 90.1 p . . . . . 0 N--CA 1.453 -0.288 0 N-CA-C 109.967 -0.383 . . . . 0.0 109.967 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . 0.596 HD11 ' O ' ' A' ' 22' ' ' SER . 0.5 OUTLIER -81.69 -10.17 59.46 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.506 1.128 . . . . 0.0 109.321 179.97 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 54' ' ' SER . . . . . 0.995 ' O ' HG22 ' A' ' 57' ' ' VAL . 0.7 OUTLIER -95.61 -47.47 6.21 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.517 1.136 . . . . 0.0 109.999 179.986 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -56.05 -37.14 68.86 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.452 1.095 . . . . 0.0 109.323 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . 0.609 ' HG3' HG13 ' A' ' 57' ' ' VAL . 2.7 pt-20 -57.4 -31.82 66.21 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.507 1.13 . . . . 0.0 110.297 179.962 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 57' ' ' VAL . . . . . 0.995 HG22 ' O ' ' A' ' 54' ' ' SER . 3.6 m -89.12 -22.43 6.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.457 1.098 . . . . 0.0 109.297 -179.968 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 102.45 32.51 4.83 Favored Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.519 1.137 . . . . 0.0 110.973 179.961 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 59' ' ' LEU . . . . . 0.569 HD12 ' HB3' ' A' ' 54' ' ' SER . 12.5 mt -80.0 141.99 35.42 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.52 0.777 . . . . 0.0 109.326 179.935 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 17.0 mt-10 -142.91 172.97 11.98 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.484 1.115 . . . . 0.0 110.289 -179.966 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 25.1 mt -67.93 129.46 32.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.513 1.133 . . . . 0.0 109.263 179.976 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 116.81 -21.33 11.34 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.51 1.131 . . . . 0.0 111.035 179.98 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 63' ' ' ASP . . . . . 0.639 ' CG ' HD13 ' A' ' 95' ' ' ILE . 74.1 m-20 -65.98 98.33 0.42 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.507 0.769 . . . . 0.0 109.333 179.967 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 64' ' ' GLN . . . . . 0.567 ' HB2' ' CD2' ' A' ' 44' ' ' PHE . 49.3 tt0 -83.08 120.66 26.04 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.554 1.159 . . . . 0.0 110.261 -179.951 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 65' ' ' ILE . . . . . 0.611 ' CG2' ' CG2' ' A' ' 68' ' ' VAL . 28.5 mt -71.72 106.2 2.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.474 1.109 . . . . 0.0 109.319 179.984 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 66' ' ' VAL . . . . . 0.901 HG22 ' O ' ' A' ' 94' ' ' SER . 15.0 m -95.36 -23.37 5.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.472 1.108 . . . . 0.0 109.29 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . 0.418 ' HG2' ' N ' ' A' ' 68' ' ' VAL . 33.3 tt0 -153.16 152.81 31.67 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.512 1.132 . . . . 0.0 110.289 179.991 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 68' ' ' VAL . . . . . 0.718 ' O ' HG23 ' A' ' 71' ' ' VAL . 87.6 t -148.67 114.39 0.8 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.529 1.143 . . . . 0.0 109.269 -179.973 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 69' ' ' ASN . . . . . 0.856 ' ND2' HD23 ' A' ' 91' ' ' LEU . 1.5 t-20 57.8 18.05 4.61 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.533 1.146 . . . . 0.0 109.287 179.992 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 99.73 2.67 56.28 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.561 1.163 . . . . 0.0 111.006 179.98 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 71' ' ' VAL . . . . . 0.804 HG21 HG11 ' A' ' 84' ' ' VAL . 48.1 t -77.35 150.02 5.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.501 0.765 . . . . 0.0 109.285 -179.959 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -87.96 88.43 7.65 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.53 1.144 . . . . 0.0 109.317 -179.968 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 73' ' ' PHE . . . . . 0.897 ' CD1' HD12 ' A' ' 76' ' ' LEU . 3.2 m-85 -87.99 38.74 0.86 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.525 1.141 . . . . 0.0 111.013 -179.988 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 12.1 t -75.13 -61.67 1.81 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.452 1.095 . . . . 0.0 110.036 179.985 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 1.2 p30 -121.52 48.54 1.66 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.519 1.137 . . . . 0.0 109.274 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 76' ' ' LEU . . . . . 0.897 HD12 ' CD1' ' A' ' 73' ' ' PHE . 6.5 mt -76.6 -167.04 0.74 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.488 1.118 . . . . 0.0 109.28 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 39.1 t70 -136.73 171.12 14.97 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.524 1.14 . . . . 0.0 109.276 -179.982 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 78' ' ' HIS . . . . . . . . . . . . . 63.3 t-80 -71.91 -7.17 46.97 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.497 1.123 . . . . 0.0 109.566 -179.975 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 18.8 mttt -107.29 -34.93 6.95 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.551 1.157 . . . . 0.0 109.288 179.998 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 80' ' ' GLU . . . . . 0.711 ' CB ' HD22 ' A' ' 76' ' ' LEU . 2.3 mm-40 -80.41 -37.64 31.76 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.501 1.126 . . . . 0.0 110.321 179.99 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 81' ' ' ALA . . . . . 0.601 ' O ' HD12 ' A' ' 85' ' ' LEU . . . -72.99 -28.7 62.53 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.463 1.102 . . . . 0.0 109.321 179.983 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 82' ' ' VAL . . . . . 0.594 HG12 ' HE2' ' A' ' 86' ' ' LYS . 36.1 t -81.46 -40.27 17.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.503 1.127 . . . . 0.0 109.299 -179.975 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 83' ' ' ASN . . . . . 0.431 ' HA ' ' CE ' ' A' ' 86' ' ' LYS . 2.1 t30 -61.69 -42.89 99.55 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.458 1.099 . . . . 0.0 109.325 179.935 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 84' ' ' VAL . . . . . 0.804 HG11 HG21 ' A' ' 71' ' ' VAL . 66.1 t -71.55 -32.31 45.49 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.499 1.125 . . . . 0.0 109.306 -179.983 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 85' ' ' LEU . . . . . 0.601 HD12 ' O ' ' A' ' 81' ' ' ALA . 24.9 mt -75.14 -34.14 61.61 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.487 1.117 . . . . 0.0 109.279 -179.991 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 86' ' ' LYS . . . . . 0.594 ' HE2' HG12 ' A' ' 82' ' ' VAL . 1.4 ptpt -89.41 -4.19 58.11 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.478 1.112 . . . . 0.0 109.288 -179.959 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 1.5 t -52.75 -66.47 0.38 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.52 1.137 . . . . 0.0 109.973 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 1.1 t -123.54 179.96 4.57 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.502 1.126 . . . . 0.0 109.996 -179.969 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 4.6 mmt180 -81.63 -56.18 4.18 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.52 1.138 . . . . 0.0 110.298 179.965 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 3.6 m -86.02 121.28 28.41 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.52 1.138 . . . . 0.0 109.977 -179.958 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 91' ' ' LEU . . . . . 0.856 HD23 ' ND2' ' A' ' 69' ' ' ASN . 1.2 mt -138.52 146.15 41.6 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.535 1.147 . . . . 0.0 109.321 179.962 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 92' ' ' THR . . . . . 0.585 ' OG1' ' CE2' ' A' ' 20' ' ' PHE . 76.2 m -104.32 101.92 11.62 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.526 1.141 . . . . 0.0 110.398 -179.986 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 93' ' ' ILE . . . . . 0.51 HG23 HG23 ' A' ' 65' ' ' ILE . 13.3 mt -89.95 133.6 31.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.503 1.127 . . . . 0.0 109.277 -179.973 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 94' ' ' SER . . . . . 0.901 ' O ' HG22 ' A' ' 66' ' ' VAL . 0.3 OUTLIER -117.95 104.29 10.76 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.491 1.12 . . . . 0.0 109.98 -179.98 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 95' ' ' ILE . . . . . 0.639 HD13 ' CG ' ' A' ' 63' ' ' ASP . 1.4 pt -104.22 173.86 1.3 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.54 1.15 . . . . 0.0 109.319 179.992 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 96' ' ' VAL . . . . . 0.92 ' HB ' ' HB2' ' A' ' 99' ' ' ALA . 74.3 t -112.45 33.97 0.97 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.48 1.112 . . . . 0.0 109.275 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 97' ' ' ALA . . . . . 0.417 ' O ' ' O ' ' A' ' 96' ' ' VAL . . . 43.41 93.25 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.473 1.108 . . . . 0.0 109.27 179.987 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 98' ' ' ALA . . . . . 0.546 ' CB ' ' NH1' ' A' ' 101' ' ' ARG . . . 51.12 56.65 7.65 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.486 1.116 . . . . 0.0 109.324 -179.979 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 99' ' ' ALA . . . . . 0.92 ' HB2' ' HB ' ' A' ' 96' ' ' VAL . . . -61.63 -67.45 0.41 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.517 1.135 . . . . 0.0 109.3 -179.959 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . -106.65 60.33 0.36 Allowed Glycine 0 CA--C 1.531 1.041 0 O-C-N 124.527 1.142 . . . . 0.0 111.012 179.979 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 101' ' ' ARG . . . . . 0.546 ' NH1' ' CB ' ' A' ' 98' ' ' ALA . 0.0 OUTLIER -70.81 -24.77 62.62 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.513 0.772 . . . . 0.0 110.316 179.983 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -71.4 -5.7 34.68 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.532 1.145 . . . . 0.0 110.261 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 103' ' ' LEU . . . . . 0.559 HD11 ' HD3' ' A' ' 40' ' ' LYS . 30.6 mt -79.16 -17.3 55.21 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.541 1.15 . . . . 0.0 109.322 179.978 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 104' ' ' PHE . . . . . 0.594 ' CZ ' ' O ' ' A' ' 45' ' ' ILE . 52.3 m-85 . . . . . 0 C--N 1.325 -0.465 0 O-C-N 124.451 1.094 . . . . 0.0 111.041 179.973 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . 0.401 ' HG3' HG22 ' A' ' 96' ' ' VAL . 17.6 mt-10 . . . . . 0 N--CA 1.453 -0.279 0 N-CA-C 110.29 -0.263 . . . . 0.0 110.29 . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . 0.653 ' HE3' HD11 ' A' ' 95' ' ' ILE . 0.6 OUTLIER -112.29 154.78 25.14 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.537 1.148 . . . . 0.0 109.315 179.962 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -105.27 118.76 37.37 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.495 1.122 . . . . 0.0 109.263 -179.956 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 19' ' ' VAL . . . . . 0.437 HG23 ' O ' ' A' ' 93' ' ' ILE . 0.0 OUTLIER -120.12 124.6 73.0 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.438 1.086 . . . . 0.0 109.254 -179.988 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 20' ' ' PHE . . . . . 0.479 ' CD1' ' O ' ' A' ' 91' ' ' LEU . 0.1 OUTLIER -101.73 112.11 24.59 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.466 1.104 . . . . 0.0 111.045 179.938 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 21' ' ' ILE . . . . . 0.4 HG23 ' HG ' ' A' ' 53' ' ' LEU . 20.2 mm -99.11 121.65 49.95 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.507 1.129 . . . . 0.0 109.348 -179.997 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 22' ' ' SER . . . . . 0.419 ' C ' HD22 ' A' ' 23' ' ' LEU . 12.3 t -110.93 140.75 45.16 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.491 1.12 . . . . 0.0 109.991 -179.983 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.419 HD22 ' C ' ' A' ' 22' ' ' SER . 4.2 mm? . . . . . 0 C--N 1.325 -0.472 0 O-C-N 124.497 1.123 . . . . 0.0 109.27 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.971 0 N-CA-C 111.017 -0.833 . . . . 0.0 111.017 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 28.7 p -121.56 147.4 45.87 Favored 'General case' 0 C--N 1.325 -0.48 0 N-CA-C 108.319 -0.993 . . . . 0.0 108.319 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -111.14 141.35 44.76 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.55 1.156 . . . . 0.0 109.987 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 33' ' ' ILE . . . . . 0.564 HD11 HG23 ' A' ' 82' ' ' VAL . 11.3 pt -109.4 145.24 16.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.453 1.095 . . . . 0.0 109.276 -179.966 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 48.5 m -126.86 152.58 46.83 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.523 1.14 . . . . 0.0 109.999 -179.999 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 11.2 p -80.19 150.24 30.21 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.497 1.123 . . . . 0.0 109.968 -179.977 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -103.21 163.27 15.82 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.54 1.15 . . . . 0.0 110.977 -179.966 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.04 -170.2 0.75 Allowed 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.463 1.77 . . . . 0.0 111.007 179.963 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 5.5 tt -74.04 -29.75 26.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.458 1.099 . . . . 0.0 109.307 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 11.8 pt20 -79.35 -28.66 42.03 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.522 1.139 . . . . 0.0 110.288 179.977 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 40' ' ' LYS . . . . . 0.78 ' HG2' HD11 ' A' ' 103' ' ' LEU . 0.0 OUTLIER -136.41 61.56 38.82 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.541 1.151 . . . . 0.0 109.302 179.984 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 41' ' ' PRO . . . . . 0.475 ' HD3' ' N ' ' A' ' 40' ' ' LYS . 18.3 Cg_endo -75.0 146.64 32.88 Favored 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.479 1.778 . . . . 0.0 111.0 179.988 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 138.83 -164.67 25.74 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.523 1.139 . . . . 0.0 111.017 179.998 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 43' ' ' ILE . . . . . 0.498 ' CG2' HD12 ' A' ' 65' ' ' ILE . 30.3 mm -107.84 125.93 64.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.527 0.78 . . . . 0.0 109.296 179.981 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 44' ' ' PHE . . . . . 0.57 ' CD2' ' HB2' ' A' ' 64' ' ' GLN . 19.4 m-85 -133.55 128.7 35.82 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.523 1.139 . . . . 0.0 111.03 179.956 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 45' ' ' ILE . . . . . 0.58 ' O ' ' CE2' ' A' ' 104' ' ' PHE . 5.1 mt -57.7 151.97 3.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.46 1.1 . . . . 0.0 109.249 -179.982 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 5.4 p -120.49 -40.87 2.63 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.468 1.105 . . . . 0.0 110.042 179.961 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 65.3 t-80 -146.72 157.42 43.69 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.517 1.136 . . . . 0.0 109.556 179.986 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 37.4 t . . . . . 0 C--N 1.325 -0.467 0 O-C-N 124.457 1.098 . . . . 0.0 109.304 179.973 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 52' ' ' SER . . . . . 0.453 ' N ' ' HB3' ' A' ' 55' ' ' ALA . 1.3 p . . . . . 0 N--CA 1.453 -0.278 0 N-CA-C 109.994 -0.373 . . . . 0.0 109.994 . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . 0.502 HD13 ' HA ' ' A' ' 53' ' ' LEU . 0.0 OUTLIER -82.98 -27.08 30.71 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.573 1.171 . . . . 0.0 109.335 179.978 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 54' ' ' SER . . . . . 0.465 ' CB ' ' HB2' ' A' ' 59' ' ' LEU . 0.0 OUTLIER -94.61 -28.86 15.16 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.527 1.142 . . . . 0.0 110.03 179.966 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 55' ' ' ALA . . . . . 0.453 ' HB3' ' N ' ' A' ' 52' ' ' SER . . . -73.82 -10.83 60.07 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.5 1.125 . . . . 0.0 109.294 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . 0.553 ' HG3' HG13 ' A' ' 57' ' ' VAL . 2.9 pt-20 -90.59 -34.56 15.44 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.522 1.139 . . . . 0.0 110.286 179.993 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 57' ' ' VAL . . . . . 0.553 HG13 ' HG3' ' A' ' 56' ' ' GLU . 2.2 m -84.79 -23.86 7.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.508 1.13 . . . . 0.0 109.28 -179.988 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 106.71 23.97 6.91 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.501 1.126 . . . . 0.0 111.003 -179.977 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 59' ' ' LEU . . . . . 0.48 HD23 ' OD2' ' A' ' 63' ' ' ASP . 13.5 mt -81.08 137.61 35.99 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.508 0.77 . . . . 0.0 109.325 179.97 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 19.5 mt-10 -140.53 173.07 11.86 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.548 1.155 . . . . 0.0 110.328 179.953 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 67.1 mt -56.4 130.7 19.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.521 1.138 . . . . 0.0 109.302 179.962 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 116.37 -36.53 3.76 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.511 1.132 . . . . 0.0 110.98 180.0 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 63' ' ' ASP . . . . . 0.529 ' CG ' HD13 ' A' ' 95' ' ' ILE . 82.1 m-20 -56.15 98.56 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.484 0.755 . . . . 0.0 109.326 -179.981 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 64' ' ' GLN . . . . . 0.609 ' HB3' ' HB3' ' A' ' 99' ' ' ALA . 4.7 tt0 -83.47 134.48 34.85 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.523 1.14 . . . . 0.0 110.319 -179.986 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 65' ' ' ILE . . . . . 0.764 HG23 HG23 ' A' ' 93' ' ' ILE . 26.6 mt -87.11 110.64 20.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.485 1.116 . . . . 0.0 109.307 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 66' ' ' VAL . . . . . 0.66 HG22 ' O ' ' A' ' 94' ' ' SER . 17.3 m -102.08 -22.19 4.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.493 1.12 . . . . 0.0 109.352 179.947 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . 0.415 ' HG2' ' N ' ' A' ' 68' ' ' VAL . 25.0 tt0 -153.05 147.13 25.52 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.519 1.137 . . . . 0.0 110.281 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 68' ' ' VAL . . . . . 0.744 ' O ' HG23 ' A' ' 71' ' ' VAL . 98.5 t -145.73 129.11 10.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.491 1.12 . . . . 0.0 109.285 -179.967 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 69' ' ' ASN . . . . . 0.776 HD22 HD23 ' A' ' 91' ' ' LEU . 1.1 t-20 43.92 31.8 0.54 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.506 1.129 . . . . 0.0 109.32 179.971 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 77.66 41.08 20.64 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.499 1.124 . . . . 0.0 111.039 -179.928 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 71' ' ' VAL . . . . . 0.744 HG23 ' O ' ' A' ' 68' ' ' VAL . 64.2 t -115.46 157.51 16.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.494 0.761 . . . . 0.0 109.308 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 2.0 t0 -91.51 88.69 6.89 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.51 1.131 . . . . 0.0 109.325 179.975 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 73' ' ' PHE . . . . . 0.872 ' CD1' HD12 ' A' ' 76' ' ' LEU . 3.3 m-85 -90.78 21.72 3.95 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.467 1.104 . . . . 0.0 110.96 -179.963 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -74.79 -50.65 16.47 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.535 1.147 . . . . 0.0 109.976 -179.977 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 66.4 m-80 -119.64 50.22 1.28 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.469 1.105 . . . . 0.0 109.293 179.985 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 76' ' ' LEU . . . . . 0.872 HD12 ' CD1' ' A' ' 73' ' ' PHE . 7.0 mt -92.58 -167.43 1.75 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.506 1.129 . . . . 0.0 109.31 179.976 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 28.1 t70 -133.99 170.92 14.92 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.499 1.124 . . . . 0.0 109.339 179.982 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 78' ' ' HIS . . . . . . . . . . . . . 37.9 t-80 -70.61 -7.19 42.27 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.497 1.123 . . . . 0.0 109.566 -179.96 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -107.72 -39.24 5.64 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.498 1.124 . . . . 0.0 109.285 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 80' ' ' GLU . . . . . 0.828 ' O ' HG23 ' A' ' 84' ' ' VAL . 5.1 mt-10 -75.94 -41.02 52.88 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.531 1.144 . . . . 0.0 110.3 179.988 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 81' ' ' ALA . . . . . 0.527 ' HA ' HD13 ' A' ' 76' ' ' LEU . . . -66.07 -24.11 66.66 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.481 1.113 . . . . 0.0 109.342 179.988 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 82' ' ' VAL . . . . . 0.564 HG23 HD11 ' A' ' 33' ' ' ILE . 35.5 t -89.92 -50.33 13.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.526 1.141 . . . . 0.0 109.265 179.974 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 2.0 m-20 -50.01 -41.2 46.71 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.516 1.135 . . . . 0.0 109.267 -179.957 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 84' ' ' VAL . . . . . 0.828 HG23 ' O ' ' A' ' 80' ' ' GLU . 75.4 t -65.92 -25.11 35.36 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.496 1.122 . . . . 0.0 109.294 -179.969 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 85' ' ' LEU . . . . . 0.464 ' N ' ' O ' ' A' ' 82' ' ' VAL . 55.7 mt -80.75 -34.63 34.19 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.542 1.152 . . . . 0.0 109.298 -179.975 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 86' ' ' LYS . . . . . 0.491 ' CE ' ' CG1' ' A' ' 82' ' ' VAL . 4.0 mttm -74.11 -24.93 59.52 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.517 1.136 . . . . 0.0 109.316 179.984 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 87' ' ' SER . . . . . 0.444 ' C ' ' O ' ' A' ' 86' ' ' LYS . 15.1 t -35.3 -70.78 0.08 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.522 1.139 . . . . 0.0 110.01 179.978 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -125.82 -171.58 2.41 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.46 1.1 . . . . 0.0 109.966 -179.956 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 4.2 mmt180 -93.93 -52.53 4.38 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.457 1.098 . . . . 0.0 110.315 -179.998 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -86.65 109.74 19.38 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.435 1.084 . . . . 0.0 109.99 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 91' ' ' LEU . . . . . 0.776 HD23 HD22 ' A' ' 69' ' ' ASN . 1.1 mp -128.53 153.75 46.86 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.489 1.118 . . . . 0.0 109.346 179.965 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 3.3 m -110.28 100.03 8.97 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.501 1.125 . . . . 0.0 110.393 -179.967 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 93' ' ' ILE . . . . . 0.764 HG23 HG23 ' A' ' 65' ' ' ILE . 11.5 mt -89.56 132.17 34.97 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.451 1.094 . . . . 0.0 109.316 179.985 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 94' ' ' SER . . . . . 0.66 ' O ' HG22 ' A' ' 66' ' ' VAL . 0.5 OUTLIER -111.7 101.44 9.81 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.478 1.111 . . . . 0.0 110.001 -179.988 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 95' ' ' ILE . . . . . 0.653 HD11 ' HE3' ' A' ' 17' ' ' LYS . 1.1 pt -100.59 166.68 2.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.573 1.171 . . . . 0.0 109.253 -179.981 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 96' ' ' VAL . . . . . 0.879 ' HB ' ' HB2' ' A' ' 99' ' ' ALA . 74.4 t -108.33 32.85 0.79 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.547 1.154 . . . . 0.0 109.287 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 97' ' ' ALA . . . . . 0.559 ' HB2' ' HE2' ' A' ' 17' ' ' LYS . . . 46.09 94.02 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.512 1.133 . . . . 0.0 109.33 179.962 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 98' ' ' ALA . . . . . 0.603 ' HB1' ' HG3' ' A' ' 101' ' ' ARG . . . 48.42 56.89 6.84 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.491 1.119 . . . . 0.0 109.242 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 99' ' ' ALA . . . . . 0.879 ' HB2' ' HB ' ' A' ' 96' ' ' VAL . . . -60.28 -74.69 0.07 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.488 1.118 . . . . 0.0 109.34 179.939 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . -97.81 55.38 1.18 Allowed Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.497 1.123 . . . . 0.0 111.062 179.949 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 101' ' ' ARG . . . . . 0.603 ' HG3' ' HB1' ' A' ' 98' ' ' ALA . 0.0 OUTLIER -63.82 -42.33 97.69 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.468 0.746 . . . . 0.0 110.279 -179.96 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 7.9 pt-20 -42.44 -35.48 1.05 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.468 1.105 . . . . 0.0 110.283 -179.966 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 103' ' ' LEU . . . . . 0.78 HD11 ' HG2' ' A' ' 40' ' ' LYS . 73.5 mt -46.39 -43.57 16.4 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.53 1.144 . . . . 0.0 109.246 -179.988 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 104' ' ' PHE . . . . . 0.58 ' CE2' ' O ' ' A' ' 45' ' ' ILE . 6.1 m-85 . . . . . 0 C--N 1.324 -0.506 0 O-C-N 124.507 1.129 . . . . 0.0 111.021 179.996 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . 0.413 ' HG3' HG22 ' A' ' 96' ' ' VAL . 17.9 mt-10 . . . . . 0 N--CA 1.453 -0.314 0 N-CA-C 110.279 -0.267 . . . . 0.0 110.279 . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . 0.74 ' HE3' HD11 ' A' ' 95' ' ' ILE . 0.6 OUTLIER -118.57 146.73 44.37 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.519 1.137 . . . . 0.0 109.295 179.995 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -94.98 129.83 41.89 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.498 1.124 . . . . 0.0 109.316 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -131.86 118.24 37.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.515 1.134 . . . . 0.0 109.253 -179.943 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -95.83 112.76 24.41 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.516 1.135 . . . . 0.0 111.027 179.974 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 21' ' ' ILE . . . . . 0.538 ' CG1' HD12 ' A' ' 93' ' ' ILE . 33.3 mm -96.68 120.61 46.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.46 1.1 . . . . 0.0 109.289 -179.973 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 22' ' ' SER . . . . . 0.964 ' O ' HD11 ' A' ' 53' ' ' LEU . 6.4 t -112.26 109.01 18.43 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.537 1.148 . . . . 0.0 110.015 179.979 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.521 ' CD2' HG22 ' A' ' 21' ' ' ILE . 3.3 mm? . . . . . 0 C--N 1.325 -0.474 0 O-C-N 124.422 1.076 . . . . 0.0 109.294 -179.993 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.981 0 N-CA-C 111.014 -0.834 . . . . 0.0 111.014 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 26.7 p -111.18 166.79 10.78 Favored 'General case' 0 C--N 1.325 -0.472 0 N-CA-C 108.29 -1.004 . . . . 0.0 108.29 179.983 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -124.81 142.05 51.69 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.508 1.13 . . . . 0.0 110.001 -179.994 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 33' ' ' ILE . . . . . 0.465 HD11 ' CG2' ' A' ' 82' ' ' VAL . 6.6 pt -116.51 149.38 18.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.502 1.126 . . . . 0.0 109.296 179.953 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -137.87 169.64 17.43 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.477 1.111 . . . . 0.0 110.006 179.978 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 78.2 p -93.32 143.38 26.33 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.481 1.113 . . . . 0.0 109.976 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -94.43 165.13 26.01 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.511 1.132 . . . . 0.0 110.994 179.974 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.96 -169.12 0.58 Allowed 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.497 1.788 . . . . 0.0 111.006 179.988 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 0.7 OUTLIER -75.1 -30.29 23.03 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.448 1.093 . . . . 0.0 109.316 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 12.4 pt20 -78.64 -28.92 45.59 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.509 1.131 . . . . 0.0 110.3 -179.985 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 40' ' ' LYS . . . . . 0.473 ' N ' ' HD3' ' A' ' 41' ' ' PRO . 0.0 OUTLIER -136.44 61.76 39.69 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.473 1.108 . . . . 0.0 109.283 -179.992 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 41' ' ' PRO . . . . . 0.473 ' HD3' ' N ' ' A' ' 40' ' ' LYS . 18.2 Cg_endo -75.07 144.97 30.65 Favored 'Trans proline' 0 C--N 1.36 1.132 0 O-C-N 124.489 1.784 . . . . 0.0 110.956 -179.97 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 142.71 -157.62 26.79 Favored Glycine 0 CA--C 1.531 1.044 0 O-C-N 124.517 1.136 . . . . 0.0 110.977 179.972 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 43' ' ' ILE . . . . . 0.411 ' O ' ' N ' ' A' ' 65' ' ' ILE . 20.5 mm -117.08 126.14 74.3 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.506 0.768 . . . . 0.0 109.305 -179.987 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 44' ' ' PHE . . . . . 0.585 ' CD2' ' HB2' ' A' ' 64' ' ' GLN . 2.0 m-85 -133.94 139.17 45.95 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.469 1.105 . . . . 0.0 110.988 -179.977 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 45' ' ' ILE . . . . . 0.426 ' O ' ' CZ ' ' A' ' 104' ' ' PHE . 12.9 mt -67.97 141.69 17.36 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.462 1.101 . . . . 0.0 109.278 179.984 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 46' ' ' SER . . . . . 0.549 ' HA ' ' CE2' ' A' ' 104' ' ' PHE . 1.0 OUTLIER -103.78 -37.13 7.59 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.543 1.152 . . . . 0.0 109.955 -179.998 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 66.5 t-80 -153.99 163.37 40.17 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.487 1.117 . . . . 0.0 109.559 -179.972 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 55.9 t . . . . . 0 C--N 1.326 -0.456 0 O-C-N 124.477 1.111 . . . . 0.0 109.291 179.994 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 30.0 p . . . . . 0 N--CA 1.453 -0.296 0 N-CA-C 109.972 -0.381 . . . . 0.0 109.972 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . 0.964 HD11 ' O ' ' A' ' 22' ' ' SER . 0.4 OUTLIER -76.55 -18.13 58.85 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.551 1.157 . . . . 0.0 109.276 -179.952 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 54' ' ' SER . . . . . 0.838 ' O ' HG22 ' A' ' 57' ' ' VAL . 0.1 OUTLIER -95.04 -34.2 12.42 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.55 1.156 . . . . 0.0 109.992 -179.975 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -71.05 -36.74 72.43 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.541 1.151 . . . . 0.0 109.322 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . 0.577 ' HG3' HG13 ' A' ' 57' ' ' VAL . 4.7 pt-20 -57.22 -31.92 65.99 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.487 1.117 . . . . 0.0 110.304 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 57' ' ' VAL . . . . . 0.838 HG22 ' O ' ' A' ' 54' ' ' SER . 13.5 m -86.82 -25.71 6.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.476 1.11 . . . . 0.0 109.308 -179.977 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 102.9 41.92 2.2 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.534 1.146 . . . . 0.0 110.979 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 59' ' ' LEU . . . . . 0.503 ' HG ' HG23 ' A' ' 57' ' ' VAL . 25.3 mt -93.12 140.51 29.43 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.515 0.773 . . . . 0.0 109.324 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 13.4 mt-10 -135.38 173.62 11.52 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.496 1.123 . . . . 0.0 110.313 179.979 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 47.9 mt -64.28 126.34 22.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.446 1.091 . . . . 0.0 109.244 -179.964 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 62' ' ' GLY . . . . . 0.4 ' O ' ' N ' ' A' ' 64' ' ' GLN . . . 122.17 -35.48 3.49 Favored Glycine 0 CA--C 1.529 0.959 0 O-C-N 124.528 1.142 . . . . 0.0 111.048 179.995 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 63' ' ' ASP . . . . . 0.563 ' CG ' HD13 ' A' ' 95' ' ' ILE . 75.9 m-20 -49.85 96.33 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.468 0.746 . . . . 0.0 109.282 179.995 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 64' ' ' GLN . . . . . 0.585 ' HB2' ' CD2' ' A' ' 44' ' ' PHE . 40.7 tt0 -83.11 117.34 22.8 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.529 1.143 . . . . 0.0 110.321 179.954 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 65' ' ' ILE . . . . . 0.802 HG23 HG23 ' A' ' 93' ' ' ILE . 42.3 mt -71.05 106.65 1.94 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.5 1.125 . . . . 0.0 109.288 -179.974 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 66' ' ' VAL . . . . . 0.823 HG22 ' O ' ' A' ' 94' ' ' SER . 14.9 m -95.22 -23.34 5.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.482 1.114 . . . . 0.0 109.309 179.95 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . 0.424 ' HG2' ' N ' ' A' ' 68' ' ' VAL . 36.3 tt0 -151.83 156.37 40.04 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.521 1.138 . . . . 0.0 110.305 179.948 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 68' ' ' VAL . . . . . 0.745 ' O ' HG23 ' A' ' 71' ' ' VAL . 75.2 t -151.98 120.03 0.76 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.474 1.109 . . . . 0.0 109.328 -179.981 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 69' ' ' ASN . . . . . 0.831 ' ND2' HD23 ' A' ' 91' ' ' LEU . 1.2 t-20 51.78 23.82 2.2 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.453 1.095 . . . . 0.0 109.286 -179.964 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 88.96 21.34 42.82 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.552 1.158 . . . . 0.0 110.952 179.949 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 71' ' ' VAL . . . . . 0.745 HG23 ' O ' ' A' ' 68' ' ' VAL . 63.9 t -94.68 146.13 7.16 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.443 0.731 . . . . 0.0 109.285 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 8.3 t0 -82.48 86.27 6.79 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.511 1.132 . . . . 0.0 109.282 -179.989 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 73' ' ' PHE . . . . . 0.782 ' CD1' HD12 ' A' ' 76' ' ' LEU . 3.4 m-85 -88.65 29.67 0.98 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.461 1.101 . . . . 0.0 110.978 -179.986 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 3.1 t -71.87 -68.81 0.43 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.521 1.138 . . . . 0.0 109.979 -179.984 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 3.5 m-80 -109.95 46.58 1.01 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.522 1.139 . . . . 0.0 109.298 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 76' ' ' LEU . . . . . 0.782 HD12 ' CD1' ' A' ' 73' ' ' PHE . 7.2 mt -79.9 -167.51 1.29 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.462 1.101 . . . . 0.0 109.282 179.995 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 26.3 t0 -135.82 171.4 14.52 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.528 1.142 . . . . 0.0 109.26 -179.982 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 78' ' ' HIS . . . . . . . . . . . . . 64.9 t-80 -71.24 -6.62 41.04 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.487 1.117 . . . . 0.0 109.628 179.985 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 10.1 mmtt -108.0 -36.92 6.21 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.525 1.141 . . . . 0.0 109.283 -179.984 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 80' ' ' GLU . . . . . 0.878 ' O ' HG23 ' A' ' 84' ' ' VAL . 2.2 mt-10 -78.84 -38.17 38.65 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.485 1.116 . . . . 0.0 110.306 179.973 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 81' ' ' ALA . . . . . 0.441 ' HB1' ' CE2' ' A' ' 73' ' ' PHE . . . -70.92 -32.47 69.4 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.466 1.103 . . . . 0.0 109.323 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 82' ' ' VAL . . . . . 0.5 ' O ' ' N ' ' A' ' 85' ' ' LEU . 15.4 t -77.29 -56.62 7.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.465 1.103 . . . . 0.0 109.293 179.991 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 13.6 t30 -45.54 -45.07 13.22 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.504 1.127 . . . . 0.0 109.323 -179.992 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 84' ' ' VAL . . . . . 0.878 HG23 ' O ' ' A' ' 80' ' ' GLU . 75.3 t -59.33 -34.11 53.12 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.513 1.133 . . . . 0.0 109.298 179.966 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 85' ' ' LEU . . . . . 0.5 ' N ' ' O ' ' A' ' 82' ' ' VAL . 49.8 mt -72.8 -37.28 67.59 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.49 1.119 . . . . 0.0 109.294 179.983 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 86' ' ' LYS . . . . . 0.418 ' HG3' ' O ' ' A' ' 82' ' ' VAL . 3.9 mttm -70.2 -25.96 63.66 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.481 1.113 . . . . 0.0 109.277 -179.938 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 87' ' ' SER . . . . . 0.416 ' C ' ' O ' ' A' ' 86' ' ' LYS . 35.6 t -37.02 -69.6 0.11 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.487 1.117 . . . . 0.0 110.005 -179.991 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 88' ' ' SER . . . . . 0.771 ' O ' HD11 ' A' ' 91' ' ' LEU . 0.3 OUTLIER -132.1 175.35 9.31 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.575 1.172 . . . . 0.0 110.023 179.989 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 2.8 mmt85 -81.56 -58.04 3.2 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.467 1.104 . . . . 0.0 110.285 -179.992 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -79.23 112.31 16.32 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.519 1.137 . . . . 0.0 110.006 179.991 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 91' ' ' LEU . . . . . 0.831 HD23 ' ND2' ' A' ' 69' ' ' ASN . 0.9 OUTLIER -133.5 153.01 51.98 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.529 1.143 . . . . 0.0 109.318 179.967 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 6.7 m -107.79 100.53 9.9 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.513 1.133 . . . . 0.0 110.405 -179.991 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 93' ' ' ILE . . . . . 0.802 HG23 HG23 ' A' ' 65' ' ' ILE . 16.9 mt -89.57 134.77 27.82 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.494 1.121 . . . . 0.0 109.264 -179.981 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 94' ' ' SER . . . . . 0.823 ' O ' HG22 ' A' ' 66' ' ' VAL . 0.2 OUTLIER -113.68 100.33 8.4 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.511 1.132 . . . . 0.0 110.014 179.976 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 95' ' ' ILE . . . . . 0.74 HD11 ' HE3' ' A' ' 17' ' ' LYS . 1.1 pt -100.38 169.49 1.66 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.542 1.151 . . . . 0.0 109.276 -179.965 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 96' ' ' VAL . . . . . 0.923 ' HB ' ' HB2' ' A' ' 99' ' ' ALA . 72.2 t -112.84 34.49 0.92 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.509 1.131 . . . . 0.0 109.307 179.991 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 97' ' ' ALA . . . . . 0.557 ' H ' HD12 ' A' ' 95' ' ' ILE . . . 45.53 93.83 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.543 1.152 . . . . 0.0 109.256 179.984 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . 46.47 58.56 4.49 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.488 1.118 . . . . 0.0 109.333 -179.971 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 99' ' ' ALA . . . . . 0.923 ' HB2' ' HB ' ' A' ' 96' ' ' VAL . . . -62.27 -67.3 0.43 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.526 1.141 . . . . 0.0 109.323 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . -107.17 60.23 0.35 Allowed Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.527 1.142 . . . . 0.0 111.021 179.945 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 6.3 ptt-85 -76.76 -17.08 59.27 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.503 0.767 . . . . 0.0 110.301 179.986 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 7.5 pt-20 -71.23 -8.13 51.52 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.517 1.136 . . . . 0.0 110.287 -179.986 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 43.8 mt -73.27 -20.52 60.81 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.466 1.104 . . . . 0.0 109.275 179.988 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 104' ' ' PHE . . . . . 0.549 ' CE2' ' HA ' ' A' ' 46' ' ' SER . 4.8 m-85 . . . . . 0 C--N 1.325 -0.496 0 O-C-N 124.499 1.124 . . . . 0.0 110.997 179.984 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 25.6 mt-10 . . . . . 0 N--CA 1.453 -0.322 0 N-CA-C 110.345 -0.243 . . . . 0.0 110.345 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . 1.022 ' CE ' HD11 ' A' ' 95' ' ' ILE . 0.4 OUTLIER -110.81 142.95 42.13 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.519 1.137 . . . . 0.0 109.318 -179.99 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -95.11 133.72 38.62 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.465 1.103 . . . . 0.0 109.287 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 19' ' ' VAL . . . . . 0.752 HG22 ' O ' ' A' ' 93' ' ' ILE . 26.8 m -132.47 159.35 43.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.459 1.099 . . . . 0.0 109.244 -179.966 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 20' ' ' PHE . . . . . 0.501 ' CZ ' ' OG1' ' A' ' 92' ' ' THR . 0.1 OUTLIER -135.69 113.27 10.83 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.537 1.148 . . . . 0.0 110.993 -179.984 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 21' ' ' ILE . . . . . 0.693 HG23 HD23 ' A' ' 53' ' ' LEU . 1.1 mp -95.33 102.53 13.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.464 1.102 . . . . 0.0 109.318 179.982 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 22' ' ' SER . . . . . 0.629 ' O ' HD11 ' A' ' 53' ' ' LEU . 6.2 t -88.26 113.09 23.52 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.468 1.105 . . . . 0.0 109.994 -179.976 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.489 ' HB2' ' CA ' ' A' ' 89' ' ' ARG . 0.2 OUTLIER . . . . . 0 C--N 1.325 -0.493 0 O-C-N 124.542 1.151 . . . . 0.0 109.325 179.976 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.071 0 N-CA-C 111.004 -0.838 . . . . 0.0 111.004 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 31' ' ' CYS . . . . . 0.655 ' HB3' HG22 ' A' ' 48' ' ' VAL . 14.9 p -106.46 142.92 35.34 Favored 'General case' 0 C--N 1.325 -0.49 0 N-CA-C 108.291 -1.003 . . . . 0.0 108.291 179.98 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -91.1 140.78 29.5 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.542 1.151 . . . . 0.0 110.004 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 7.5 pt -116.4 146.25 21.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.507 1.13 . . . . 0.0 109.3 -179.965 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -133.84 169.89 16.4 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.478 1.111 . . . . 0.0 109.967 180.0 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 50.7 p -103.46 131.6 50.43 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.483 1.115 . . . . 0.0 109.967 -179.956 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -75.55 171.29 54.31 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.449 1.093 . . . . 0.0 111.004 179.964 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 -176.24 2.78 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.543 1.812 . . . . 0.0 110.988 -179.969 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 38' ' ' ILE . . . . . 0.403 ' H ' HG22 ' A' ' 38' ' ' ILE . 5.0 tt -69.73 -28.25 36.5 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.468 1.105 . . . . 0.0 109.313 -179.976 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 6.0 pt20 -79.04 -30.55 44.17 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.499 1.125 . . . . 0.0 110.295 179.984 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 40' ' ' LYS . . . . . 0.457 ' N ' ' HD3' ' A' ' 41' ' ' PRO . 21.9 tttp -137.66 62.34 34.81 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.516 1.135 . . . . 0.0 109.307 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 41' ' ' PRO . . . . . 0.457 ' HD3' ' N ' ' A' ' 40' ' ' LYS . 18.2 Cg_endo -75.04 144.38 30.05 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.488 1.783 . . . . 0.0 110.982 -179.947 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 155.91 -160.57 30.12 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.552 1.158 . . . . 0.0 111.032 -179.988 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 43' ' ' ILE . . . . . 0.568 HG22 HD12 ' A' ' 65' ' ' ILE . 8.5 mm -121.19 105.94 17.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.536 0.786 . . . . 0.0 109.298 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 44' ' ' PHE . . . . . 0.638 ' CD2' HD12 ' A' ' 103' ' ' LEU . 3.3 m-85 -117.12 138.43 51.65 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.522 1.139 . . . . 0.0 110.998 -179.981 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 45' ' ' ILE . . . . . 0.431 ' O ' ' CZ ' ' A' ' 104' ' ' PHE . 16.5 mt -68.02 149.21 11.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.528 1.143 . . . . 0.0 109.288 179.977 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 1.4 p -113.91 -37.83 4.39 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.487 1.117 . . . . 0.0 110.003 179.986 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 53.7 t-80 -149.01 163.68 36.81 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.56 1.162 . . . . 0.0 109.603 179.986 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 48' ' ' VAL . . . . . 0.655 HG22 ' HB3' ' A' ' 31' ' ' CYS . 17.2 t . . . . . 0 C--N 1.325 -0.475 0 O-C-N 124.512 1.133 . . . . 0.0 109.31 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 92.2 p . . . . . 0 N--CA 1.453 -0.298 0 N-CA-C 109.999 -0.371 . . . . 0.0 109.999 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . 0.693 HD23 HG23 ' A' ' 21' ' ' ILE . 2.8 tp -79.42 -14.45 58.93 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.506 1.129 . . . . 0.0 109.333 179.979 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 54' ' ' SER . . . . . 0.652 ' O ' HG22 ' A' ' 57' ' ' VAL . 0.0 OUTLIER -94.26 -43.78 8.27 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.508 1.13 . . . . 0.0 110.023 179.986 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 55' ' ' ALA . . . . . 0.407 ' O ' ' N ' ' A' ' 58' ' ' GLY . . . -65.11 -46.48 80.83 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.556 1.16 . . . . 0.0 109.291 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . 0.613 ' HG3' HG13 ' A' ' 57' ' ' VAL . 11.0 pt-20 -45.95 -36.06 5.18 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.478 1.111 . . . . 0.0 110.272 -179.984 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 57' ' ' VAL . . . . . 0.652 HG22 ' O ' ' A' ' 54' ' ' SER . 33.2 m -90.78 -26.23 5.23 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.514 1.134 . . . . 0.0 109.32 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 58' ' ' GLY . . . . . 0.407 ' N ' ' O ' ' A' ' 55' ' ' ALA . . . 103.78 36.6 3.19 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.457 1.098 . . . . 0.0 111.045 -179.985 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 59' ' ' LEU . . . . . 0.508 ' HG ' HG23 ' A' ' 57' ' ' VAL . 19.3 mt -84.46 141.42 30.81 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.544 0.791 . . . . 0.0 109.284 -179.963 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 32.8 mt-10 -138.91 170.17 16.46 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.549 1.156 . . . . 0.0 110.277 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 68.5 mt -60.23 131.64 25.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.489 1.118 . . . . 0.0 109.282 179.969 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 111.87 -25.33 13.2 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.515 1.134 . . . . 0.0 110.967 179.962 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 63' ' ' ASP . . . . . 0.9 ' CG ' HD13 ' A' ' 95' ' ' ILE . 61.3 m-20 -62.24 97.12 0.08 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.516 0.774 . . . . 0.0 109.266 -179.963 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 64' ' ' GLN . . . . . 0.569 ' HB2' ' CD2' ' A' ' 44' ' ' PHE . 38.0 tt0 -83.2 118.97 23.98 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.51 1.132 . . . . 0.0 110.337 179.957 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 65' ' ' ILE . . . . . 0.73 HG23 HG23 ' A' ' 93' ' ' ILE . 22.8 mt -68.19 107.09 1.15 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.521 1.138 . . . . 0.0 109.276 -179.973 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 66' ' ' VAL . . . . . 0.764 HG22 ' O ' ' A' ' 94' ' ' SER . 17.6 m -98.11 -21.41 5.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.544 1.153 . . . . 0.0 109.308 179.952 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . 0.428 ' HG2' ' N ' ' A' ' 68' ' ' VAL . 36.5 tt0 -153.56 153.1 31.75 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.506 1.129 . . . . 0.0 110.269 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 68' ' ' VAL . . . . . 0.598 ' CG2' ' CG2' ' A' ' 65' ' ' ILE . 97.1 t -151.2 111.82 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.468 1.105 . . . . 0.0 109.325 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 69' ' ' ASN . . . . . 0.933 ' ND2' HD23 ' A' ' 91' ' ' LEU . 1.0 OUTLIER 59.75 17.56 6.48 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.478 1.111 . . . . 0.0 109.342 -179.995 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 101.05 -0.5 54.84 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.561 1.163 . . . . 0.0 111.029 -179.981 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 71' ' ' VAL . . . . . 0.586 HG23 ' O ' ' A' ' 68' ' ' VAL . 60.1 t -75.34 154.5 6.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.519 0.776 . . . . 0.0 109.311 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 6.5 t0 -91.18 90.96 8.02 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.526 1.141 . . . . 0.0 109.304 -179.971 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 73' ' ' PHE . . . . . 0.928 ' CD1' HD12 ' A' ' 76' ' ' LEU . 4.2 m-85 -94.28 21.66 6.77 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.443 1.089 . . . . 0.0 111.002 -179.979 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -69.94 -38.52 76.2 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.51 1.131 . . . . 0.0 109.982 179.995 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 28.7 m-20 -139.61 52.53 1.72 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.502 1.126 . . . . 0.0 109.295 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 76' ' ' LEU . . . . . 0.928 HD12 ' CD1' ' A' ' 73' ' ' PHE . 6.1 mt -87.48 -166.12 1.49 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.563 1.165 . . . . 0.0 109.297 -179.966 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 25.1 t70 -132.66 169.52 16.53 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.511 1.132 . . . . 0.0 109.326 179.985 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 78' ' ' HIS . . . . . . . . . . . . . 54.2 t-80 -70.6 -7.13 41.87 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.496 1.122 . . . . 0.0 109.581 -179.959 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 1.3 mtpp -108.71 -36.32 6.19 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.493 1.121 . . . . 0.0 109.3 -179.962 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 80' ' ' GLU . . . . . 0.71 ' CB ' HD22 ' A' ' 76' ' ' LEU . 4.3 mm-40 -79.53 -35.94 39.17 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.484 1.115 . . . . 0.0 110.279 -179.987 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 81' ' ' ALA . . . . . 0.469 ' HA ' HD13 ' A' ' 76' ' ' LEU . . . -73.62 -34.26 64.95 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.518 1.136 . . . . 0.0 109.306 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 82' ' ' VAL . . . . . 0.472 ' O ' ' N ' ' A' ' 85' ' ' LEU . 20.5 t -74.87 -57.75 5.91 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.531 1.144 . . . . 0.0 109.267 -179.958 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 11.1 t30 -48.07 -44.73 31.73 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.501 1.126 . . . . 0.0 109.304 -180.0 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 84' ' ' VAL . . . . . 0.718 HG11 ' HE1' ' A' ' 73' ' ' PHE . 46.9 t -63.27 -27.45 43.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.513 1.133 . . . . 0.0 109.279 -179.98 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 85' ' ' LEU . . . . . 0.574 ' HA ' HD13 ' A' ' 91' ' ' LEU . 36.3 mt -81.95 -34.57 29.73 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.473 1.108 . . . . 0.0 109.3 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 86' ' ' LYS . . . . . 0.463 ' O ' ' C ' ' A' ' 87' ' ' SER . 0.0 OUTLIER -78.64 -34.03 46.81 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.457 1.098 . . . . 0.0 109.318 179.997 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 87' ' ' SER . . . . . 0.463 ' C ' ' O ' ' A' ' 86' ' ' LYS . 34.1 t -34.77 -68.66 0.11 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.519 1.137 . . . . 0.0 109.972 -179.971 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 88' ' ' SER . . . . . 0.607 ' O ' HD11 ' A' ' 91' ' ' LEU . 0.3 OUTLIER -115.6 165.4 13.06 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.48 1.112 . . . . 0.0 109.999 -179.987 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 89' ' ' ARG . . . . . 0.489 ' CA ' ' HB2' ' A' ' 23' ' ' LEU . 0.6 OUTLIER -79.27 -64.44 1.19 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.416 1.073 . . . . 0.0 110.351 179.954 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -80.34 112.58 17.81 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.523 1.139 . . . . 0.0 109.976 179.984 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 91' ' ' LEU . . . . . 0.933 HD23 ' ND2' ' A' ' 69' ' ' ASN . 1.4 mt -129.93 144.33 51.27 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.492 1.12 . . . . 0.0 109.267 179.953 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 92' ' ' THR . . . . . 0.501 ' OG1' ' CZ ' ' A' ' 20' ' ' PHE . 33.6 m -100.25 101.66 12.73 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.495 1.122 . . . . 0.0 110.426 179.973 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 93' ' ' ILE . . . . . 0.752 ' O ' HG22 ' A' ' 19' ' ' VAL . 25.8 mt -89.3 141.26 14.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.457 1.098 . . . . 0.0 109.299 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 94' ' ' SER . . . . . 0.764 ' O ' HG22 ' A' ' 66' ' ' VAL . 0.3 OUTLIER -122.96 109.86 14.65 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.482 1.114 . . . . 0.0 110.011 -179.971 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 95' ' ' ILE . . . . . 1.022 HD11 ' CE ' ' A' ' 17' ' ' LYS . 1.1 pt -108.74 170.42 2.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.466 1.104 . . . . 0.0 109.339 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 96' ' ' VAL . . . . . 0.808 ' HB ' ' HB2' ' A' ' 99' ' ' ALA . 84.2 t -107.16 31.17 0.89 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.509 1.131 . . . . 0.0 109.243 -179.982 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 97' ' ' ALA . . . . . 0.607 ' H ' HD12 ' A' ' 95' ' ' ILE . . . 44.19 92.99 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.505 1.128 . . . . 0.0 109.277 179.95 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 98' ' ' ALA . . . . . 0.654 ' HB1' ' HG3' ' A' ' 101' ' ' ARG . . . 55.96 52.9 9.88 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.57 1.169 . . . . 0.0 109.285 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 99' ' ' ALA . . . . . 0.808 ' HB2' ' HB ' ' A' ' 96' ' ' VAL . . . -58.25 -71.59 0.11 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.508 1.13 . . . . 0.0 109.305 179.976 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . -103.5 57.53 0.55 Allowed Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.532 1.145 . . . . 0.0 111.005 -179.997 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 101' ' ' ARG . . . . . 0.654 ' HG3' ' HB1' ' A' ' 98' ' ' ALA . 0.0 OUTLIER -63.78 -29.15 70.39 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.481 0.754 . . . . 0.0 110.266 -179.976 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 1.3 pt-20 -62.27 -20.47 64.31 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.503 1.127 . . . . 0.0 110.325 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 103' ' ' LEU . . . . . 0.638 HD12 ' CD2' ' A' ' 44' ' ' PHE . 32.4 mt -66.7 -16.51 64.28 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.497 1.123 . . . . 0.0 109.317 179.976 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 104' ' ' PHE . . . . . 0.431 ' CZ ' ' O ' ' A' ' 45' ' ' ILE . 14.9 m-85 . . . . . 0 C--N 1.325 -0.493 0 O-C-N 124.505 1.128 . . . . 0.0 110.983 179.989 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . 0.453 ' HG3' HG22 ' A' ' 96' ' ' VAL . 14.3 mt-10 . . . . . 0 N--CA 1.453 -0.304 0 N-CA-C 110.265 -0.272 . . . . 0.0 110.265 . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -109.17 141.3 41.6 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.495 1.122 . . . . 0.0 109.323 179.941 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . 0.646 ' HD3' HG23 ' A' ' 92' ' ' THR . 1.4 ttmm -97.24 112.25 24.14 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.533 1.146 . . . . 0.0 109.267 -179.986 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 19' ' ' VAL . . . . . 0.493 HG21 HD21 ' A' ' 59' ' ' LEU . 0.2 OUTLIER -115.22 116.68 53.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.475 1.109 . . . . 0.0 109.293 179.99 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 20' ' ' PHE . . . . . 0.594 ' CD1' ' O ' ' A' ' 91' ' ' LEU . 0.3 OUTLIER -94.56 117.65 30.45 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.503 1.127 . . . . 0.0 110.981 -179.998 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 21' ' ' ILE . . . . . 0.566 ' CG1' HD12 ' A' ' 93' ' ' ILE . 27.9 mm -95.06 102.06 13.17 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.468 1.105 . . . . 0.0 109.358 179.949 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 68.5 m -89.79 112.54 23.88 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.486 1.116 . . . . 0.0 109.948 -179.947 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.469 ' HB2' ' CA ' ' A' ' 89' ' ' ARG . 0.1 OUTLIER . . . . . 0 C--N 1.325 -0.496 0 O-C-N 124.49 1.119 . . . . 0.0 109.288 179.976 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.995 0 N-CA-C 111.024 -0.831 . . . . 0.0 111.024 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 27.7 p -136.58 143.79 43.8 Favored 'General case' 0 C--N 1.325 -0.483 0 N-CA-C 108.295 -1.002 . . . . 0.0 108.295 179.994 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -89.41 138.74 31.18 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.538 1.149 . . . . 0.0 110.025 179.994 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 33' ' ' ILE . . . . . 0.491 HD11 ' CG2' ' A' ' 82' ' ' VAL . 14.3 pt -119.01 143.04 31.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.475 1.11 . . . . 0.0 109.341 -179.997 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -136.31 168.97 18.41 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.499 1.124 . . . . 0.0 110.036 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -100.49 152.12 20.76 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.572 1.17 . . . . 0.0 110.002 -179.966 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -94.16 175.54 35.02 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.512 1.133 . . . . 0.0 111.003 179.988 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 -172.0 1.13 Allowed 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.5 1.79 . . . . 0.0 111.021 179.978 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 0.7 OUTLIER -72.92 -30.13 31.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.457 1.098 . . . . 0.0 109.3 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 7.6 pt20 -77.6 -30.75 52.59 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.498 1.124 . . . . 0.0 110.334 179.965 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 40' ' ' LYS . . . . . 0.646 ' HG2' HD11 ' A' ' 103' ' ' LEU . 2.5 tttt -136.6 61.86 39.24 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.543 1.152 . . . . 0.0 109.266 180.0 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 41' ' ' PRO . . . . . 0.465 ' HD3' ' N ' ' A' ' 40' ' ' LYS . 18.1 Cg_endo -75.04 145.98 31.96 Favored 'Trans proline' 0 C--N 1.361 1.191 0 O-C-N 124.517 1.798 . . . . 0.0 111.008 179.986 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 152.39 -157.93 27.55 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.5 1.125 . . . . 0.0 110.996 -179.982 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 43' ' ' ILE . . . . . 0.526 HG22 HD12 ' A' ' 65' ' ' ILE . 7.9 mm -121.88 117.8 53.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.497 0.763 . . . . 0.0 109.301 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 44' ' ' PHE . . . . . 0.565 ' CD2' ' HB2' ' A' ' 64' ' ' GLN . 2.2 m-85 -127.89 140.86 51.76 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.479 1.112 . . . . 0.0 110.989 -179.95 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 45' ' ' ILE . . . . . 0.548 ' O ' ' CZ ' ' A' ' 104' ' ' PHE . 8.9 mt -66.93 152.55 9.53 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.472 1.107 . . . . 0.0 109.302 179.969 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -117.59 -38.64 3.26 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.442 1.089 . . . . 0.0 110.002 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 44.3 t-80 -151.66 159.82 43.87 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.427 1.079 . . . . 0.0 109.563 -179.971 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 65.2 t . . . . . 0 C--N 1.325 -0.48 0 O-C-N 124.522 1.139 . . . . 0.0 109.273 -179.974 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 28.5 p . . . . . 0 N--CA 1.453 -0.294 0 N-CA-C 109.973 -0.38 . . . . 0.0 109.973 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . 0.47 HD12 ' CD ' ' A' ' 56' ' ' GLU . 19.0 tp -79.43 -13.71 59.41 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.503 1.127 . . . . 0.0 109.319 179.976 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 54' ' ' SER . . . . . 0.894 ' O ' HG22 ' A' ' 57' ' ' VAL . 0.0 OUTLIER -95.75 -42.13 8.51 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.574 1.172 . . . . 0.0 110.027 179.99 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 55' ' ' ALA . . . . . 0.434 ' O ' ' N ' ' A' ' 58' ' ' GLY . . . -65.22 -43.06 92.7 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.495 1.122 . . . . 0.0 109.33 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . 0.649 ' HG3' HG13 ' A' ' 57' ' ' VAL . 7.0 pt-20 -46.79 -35.33 6.12 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.474 1.109 . . . . 0.0 110.327 179.967 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 57' ' ' VAL . . . . . 0.894 HG22 ' O ' ' A' ' 54' ' ' SER . 7.2 m -88.38 -26.1 5.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.519 1.137 . . . . 0.0 109.307 179.976 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 58' ' ' GLY . . . . . 0.434 ' N ' ' O ' ' A' ' 55' ' ' ALA . . . 106.84 38.6 2.16 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.457 1.098 . . . . 0.0 110.969 179.989 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 59' ' ' LEU . . . . . 0.493 HD21 HG21 ' A' ' 19' ' ' VAL . 17.8 mt -87.85 137.34 32.42 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.493 0.761 . . . . 0.0 109.313 179.958 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -136.9 173.2 11.95 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.518 1.136 . . . . 0.0 110.292 179.969 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 21.3 mt -62.44 134.92 27.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.516 1.135 . . . . 0.0 109.333 179.988 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 109.74 -34.89 5.2 Favored Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.498 1.124 . . . . 0.0 111.042 -179.937 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 63' ' ' ASP . . . . . 0.561 ' HB3' HD13 ' A' ' 95' ' ' ILE . 52.7 m-20 -50.8 96.71 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.482 0.754 . . . . 0.0 109.286 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 64' ' ' GLN . . . . . 0.565 ' HB2' ' CD2' ' A' ' 44' ' ' PHE . 42.3 tt0 -83.02 130.23 35.12 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.496 1.122 . . . . 0.0 110.311 179.978 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 65' ' ' ILE . . . . . 0.604 ' CG2' ' CG2' ' A' ' 68' ' ' VAL . 5.5 mt -82.28 108.16 14.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.493 1.121 . . . . 0.0 109.293 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 66' ' ' VAL . . . . . 0.925 HG22 ' O ' ' A' ' 94' ' ' SER . 14.4 m -97.16 -21.91 5.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.489 1.118 . . . . 0.0 109.283 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . 0.433 ' HG2' ' N ' ' A' ' 68' ' ' VAL . 42.0 tt0 -153.96 152.49 30.62 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.479 1.112 . . . . 0.0 110.3 179.998 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 68' ' ' VAL . . . . . 0.758 ' O ' HG23 ' A' ' 71' ' ' VAL . 59.8 t -148.89 120.92 1.42 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.493 1.121 . . . . 0.0 109.327 179.979 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 69' ' ' ASN . . . . . 0.419 ' ND2' HD23 ' A' ' 91' ' ' LEU . 1.1 t-20 49.26 27.23 1.79 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.448 1.093 . . . . 0.0 109.294 -179.988 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 84.94 27.09 35.3 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.484 1.115 . . . . 0.0 111.039 179.998 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 71' ' ' VAL . . . . . 0.758 HG23 ' O ' ' A' ' 68' ' ' VAL . 60.5 t -102.69 154.22 5.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.492 0.76 . . . . 0.0 109.317 -179.982 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 2.6 t0 -85.95 89.52 7.81 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.496 1.122 . . . . 0.0 109.292 -179.943 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 73' ' ' PHE . . . . . 0.957 ' CD1' HD12 ' A' ' 76' ' ' LEU . 4.3 m-85 -97.62 23.77 7.43 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.489 1.118 . . . . 0.0 110.997 -179.95 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -76.82 -27.17 55.07 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.555 1.159 . . . . 0.0 110.037 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 58.1 m-80 -147.54 49.58 1.08 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.487 1.117 . . . . 0.0 109.32 -179.965 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 76' ' ' LEU . . . . . 0.957 HD12 ' CD1' ' A' ' 73' ' ' PHE . 6.3 mt -88.17 -166.92 1.72 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.488 1.117 . . . . 0.0 109.298 -179.975 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 34.5 t70 -132.93 170.24 15.62 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.495 1.122 . . . . 0.0 109.303 179.985 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 78' ' ' HIS . . . . . . . . . . . . . 61.1 t-80 -70.76 -6.91 41.09 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.458 1.099 . . . . 0.0 109.627 179.973 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -108.52 -39.18 5.48 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.522 1.139 . . . . 0.0 109.294 -179.968 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 80' ' ' GLU . . . . . 0.709 ' CB ' HD22 ' A' ' 76' ' ' LEU . 1.8 mt-10 -75.52 -36.83 60.45 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.463 1.102 . . . . 0.0 110.336 179.994 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 81' ' ' ALA . . . . . 0.442 ' HA ' HD13 ' A' ' 76' ' ' LEU . . . -72.03 -41.23 67.74 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.546 1.154 . . . . 0.0 109.281 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 82' ' ' VAL . . . . . 0.565 HG12 ' HD2' ' A' ' 86' ' ' LYS . 41.9 t -69.44 -40.08 79.44 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.521 1.138 . . . . 0.0 109.287 -179.966 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 83' ' ' ASN . . . . . 0.458 ' HA ' ' CD ' ' A' ' 86' ' ' LYS . 9.5 t30 -60.15 -49.74 76.44 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.535 1.147 . . . . 0.0 109.306 -179.985 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 84' ' ' VAL . . . . . 0.694 HG11 HG21 ' A' ' 71' ' ' VAL . 64.3 t -67.78 -21.08 26.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.48 1.113 . . . . 0.0 109.319 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 32.9 mt -87.16 -26.57 23.52 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.493 1.121 . . . . 0.0 109.296 -179.994 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 86' ' ' LYS . . . . . 0.565 ' HD2' HG12 ' A' ' 82' ' ' VAL . 0.0 OUTLIER -102.38 -1.01 31.72 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.521 1.138 . . . . 0.0 109.343 179.964 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 87' ' ' SER . . . . . 0.452 ' N ' ' O ' ' A' ' 83' ' ' ASN . 19.5 m -84.0 7.42 18.52 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.474 1.109 . . . . 0.0 109.977 179.988 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -177.44 163.48 1.99 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.498 1.124 . . . . 0.0 110.002 -179.945 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 89' ' ' ARG . . . . . 0.469 ' CA ' ' HB2' ' A' ' 23' ' ' LEU . 18.8 mmt85 -89.05 -65.91 0.97 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.493 1.121 . . . . 0.0 110.316 179.983 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -80.75 108.14 14.16 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.518 1.136 . . . . 0.0 109.95 -179.982 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 91' ' ' LEU . . . . . 0.594 ' O ' ' CD1' ' A' ' 20' ' ' PHE . 0.9 OUTLIER -122.15 160.12 25.78 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.475 1.109 . . . . 0.0 109.313 179.99 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 92' ' ' THR . . . . . 0.646 HG23 ' HD3' ' A' ' 18' ' ' LYS . 31.1 m -115.64 98.54 6.76 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.507 1.129 . . . . 0.0 110.415 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 93' ' ' ILE . . . . . 0.566 HD12 ' CG1' ' A' ' 21' ' ' ILE . 15.6 mt -87.89 133.94 29.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.474 1.109 . . . . 0.0 109.33 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 94' ' ' SER . . . . . 0.925 ' O ' HG22 ' A' ' 66' ' ' VAL . 0.3 OUTLIER -118.71 96.57 5.33 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.498 1.124 . . . . 0.0 110.026 179.991 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 95' ' ' ILE . . . . . 0.561 HD13 ' HB3' ' A' ' 63' ' ' ASP . 1.7 pt -99.7 169.38 1.63 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.493 1.12 . . . . 0.0 109.305 179.983 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 96' ' ' VAL . . . . . 0.775 ' HB ' ' HB2' ' A' ' 99' ' ' ALA . 74.7 t -107.57 31.32 0.91 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.542 1.151 . . . . 0.0 109.314 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 97' ' ' ALA . . . . . 0.408 ' O ' ' O ' ' A' ' 96' ' ' VAL . . . 46.73 95.03 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.506 1.129 . . . . 0.0 109.316 179.994 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 98' ' ' ALA . . . . . 0.52 ' HB1' ' HG3' ' A' ' 101' ' ' ARG . . . 51.49 55.1 9.91 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.463 1.102 . . . . 0.0 109.295 179.989 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 99' ' ' ALA . . . . . 0.775 ' HB2' ' HB ' ' A' ' 96' ' ' VAL . . . -60.76 -70.55 0.17 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.472 1.108 . . . . 0.0 109.271 -179.979 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . -101.43 58.45 0.65 Allowed Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.483 1.114 . . . . 0.0 110.988 -179.981 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 101' ' ' ARG . . . . . 0.52 ' HG3' ' HB1' ' A' ' 98' ' ' ALA . 0.0 OUTLIER -70.35 -25.22 63.18 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.481 0.754 . . . . 0.0 110.314 179.983 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 8.9 pt-20 -70.71 -36.42 73.22 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.532 1.145 . . . . 0.0 110.343 179.986 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 103' ' ' LEU . . . . . 0.646 HD11 ' HG2' ' A' ' 40' ' ' LYS . 47.3 mt -40.36 -46.3 2.33 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.529 1.143 . . . . 0.0 109.337 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 104' ' ' PHE . . . . . 0.548 ' CZ ' ' O ' ' A' ' 45' ' ' ILE . 27.6 m-85 . . . . . 0 C--N 1.325 -0.473 0 O-C-N 124.51 1.131 . . . . 0.0 110.998 179.981 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . 0.447 ' HG2' HG22 ' A' ' 96' ' ' VAL . 0.8 OUTLIER . . . . . 0 N--CA 1.453 -0.284 0 N-CA-C 110.325 -0.25 . . . . 0.0 110.325 . . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . 0.591 ' CE ' HD11 ' A' ' 95' ' ' ILE . 0.1 OUTLIER -138.54 140.12 38.96 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.526 1.141 . . . . 0.0 109.325 -179.988 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . 0.445 ' CG ' HG23 ' A' ' 92' ' ' THR . 1.0 OUTLIER -96.37 117.52 31.01 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.457 1.098 . . . . 0.0 109.285 179.995 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 19' ' ' VAL . . . . . 0.487 HG23 ' HB ' ' A' ' 93' ' ' ILE . 0.3 OUTLIER -118.87 116.89 52.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.54 1.15 . . . . 0.0 109.284 179.997 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -94.93 108.44 20.49 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.521 1.138 . . . . 0.0 111.023 179.974 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 21' ' ' ILE . . . . . 0.401 ' O ' ' O ' ' A' ' 89' ' ' ARG . 24.1 mm -95.27 112.18 27.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.516 1.135 . . . . 0.0 109.262 -179.967 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 22' ' ' SER . . . . . 0.598 ' O ' HD21 ' A' ' 53' ' ' LEU . 8.3 p -111.55 122.24 47.3 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.519 1.137 . . . . 0.0 109.972 179.995 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 3.8 mp . . . . . 0 C--N 1.326 -0.453 0 O-C-N 124.525 1.141 . . . . 0.0 109.258 -180.0 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.006 0 N-CA-C 111.013 -0.835 . . . . 0.0 111.013 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 13.0 p -117.51 139.52 50.82 Favored 'General case' 0 C--N 1.324 -0.506 0 N-CA-C 108.298 -1.001 . . . . 0.0 108.298 -179.977 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -94.61 139.66 30.9 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.546 1.154 . . . . 0.0 110.043 180.0 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 33' ' ' ILE . . . . . 0.745 HD11 ' CG2' ' A' ' 82' ' ' VAL . 6.3 pt -115.65 147.92 18.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.477 1.111 . . . . 0.0 109.298 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -136.52 170.07 16.65 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.471 1.107 . . . . 0.0 110.031 179.978 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 79.2 p -97.59 135.39 39.48 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.45 1.094 . . . . 0.0 109.986 -179.997 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -81.57 168.43 49.77 Favored Glycine 0 CA--C 1.531 1.049 0 O-C-N 124.494 1.121 . . . . 0.0 110.972 -179.966 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 -169.52 0.64 Allowed 'Trans proline' 0 C--N 1.359 1.128 0 O-C-N 124.565 1.824 . . . . 0.0 110.989 -179.985 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 5.4 tt -75.62 -29.99 21.27 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.504 1.128 . . . . 0.0 109.275 -179.992 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 1.9 pt20 -78.8 -27.71 44.46 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.448 1.092 . . . . 0.0 110.317 179.995 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 40' ' ' LYS . . . . . 0.886 ' HG2' HD11 ' A' ' 103' ' ' LEU . 0.0 OUTLIER -137.73 62.16 33.49 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.521 1.138 . . . . 0.0 109.322 -179.983 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 41' ' ' PRO . . . . . 0.461 ' HD3' ' N ' ' A' ' 40' ' ' LYS . 18.3 Cg_endo -74.99 145.35 31.39 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.499 1.789 . . . . 0.0 111.026 179.992 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 145.18 -158.83 27.76 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.468 1.105 . . . . 0.0 111.004 -179.999 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 27.0 mm -117.61 117.9 56.63 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.542 0.789 . . . . 0.0 109.289 179.975 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 44' ' ' PHE . . . . . 0.574 ' CD2' ' HB2' ' A' ' 64' ' ' GLN . 2.9 m-85 -128.76 135.04 48.65 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.548 1.155 . . . . 0.0 110.996 -179.988 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 45' ' ' ILE . . . . . 0.421 ' O ' ' CZ ' ' A' ' 104' ' ' PHE . 13.8 mt -62.87 138.18 23.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.527 1.142 . . . . 0.0 109.265 -179.949 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 51.1 p -104.77 -36.28 7.47 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.509 1.131 . . . . 0.0 110.005 -179.969 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 63.2 t-80 -150.67 163.17 39.19 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.539 1.149 . . . . 0.0 109.6 -179.988 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 77.4 t . . . . . 0 C--N 1.324 -0.508 0 O-C-N 124.479 1.112 . . . . 0.0 109.313 -179.989 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 9.4 p . . . . . 0 N--CA 1.453 -0.294 0 N-CA-C 109.982 -0.377 . . . . 0.0 109.982 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . 0.598 HD21 ' O ' ' A' ' 22' ' ' SER . 12.4 tp -73.51 -19.59 60.88 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.552 1.157 . . . . 0.0 109.364 179.968 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 54' ' ' SER . . . . . 0.801 ' O ' HG22 ' A' ' 57' ' ' VAL . 0.0 OUTLIER -95.7 -36.3 11.25 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.513 1.133 . . . . 0.0 109.991 -179.999 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -68.07 -33.23 74.15 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.479 1.112 . . . . 0.0 109.286 179.997 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . 0.564 ' CD ' HD12 ' A' ' 53' ' ' LEU . 4.6 pt-20 -61.73 -35.0 76.81 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.494 1.121 . . . . 0.0 110.309 -179.975 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 57' ' ' VAL . . . . . 0.801 HG22 ' O ' ' A' ' 54' ' ' SER . 17.8 m -83.37 -21.35 8.86 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.501 1.126 . . . . 0.0 109.312 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 100.58 36.79 3.93 Favored Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.536 1.148 . . . . 0.0 110.995 179.997 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 59' ' ' LEU . . . . . 0.539 ' HG ' HG23 ' A' ' 57' ' ' VAL . 19.7 mt -89.67 138.5 31.42 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.46 0.741 . . . . 0.0 109.265 -179.975 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 35.8 mt-10 -139.06 173.26 11.74 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.507 1.129 . . . . 0.0 110.338 179.977 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 44.2 mt -60.07 134.98 25.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.461 1.101 . . . . 0.0 109.303 -179.974 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 62' ' ' GLY . . . . . 0.464 ' HA3' ' CG ' ' A' ' 101' ' ' ARG . . . 112.6 -34.69 5.01 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.489 1.118 . . . . 0.0 111.029 -179.949 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 63' ' ' ASP . . . . . 0.599 ' HB3' HD13 ' A' ' 95' ' ' ILE . 85.2 m-20 -56.32 97.29 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.529 0.782 . . . . 0.0 109.303 179.981 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 64' ' ' GLN . . . . . 0.656 ' HB3' ' HB3' ' A' ' 99' ' ' ALA . 42.8 tt0 -83.28 131.9 35.06 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.505 1.128 . . . . 0.0 110.276 -179.995 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 65' ' ' ILE . . . . . 0.753 HG23 HG23 ' A' ' 93' ' ' ILE . 35.5 mt -85.52 111.28 20.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.518 1.136 . . . . 0.0 109.297 179.998 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 66' ' ' VAL . . . . . 0.678 HG22 ' O ' ' A' ' 94' ' ' SER . 15.4 m -99.61 -24.12 4.25 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.511 1.132 . . . . 0.0 109.312 179.976 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . 0.431 ' HA ' ' O ' ' A' ' 71' ' ' VAL . 29.0 tt0 -150.58 154.09 36.92 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.54 1.15 . . . . 0.0 110.294 179.985 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 68' ' ' VAL . . . . . 0.596 ' HB ' ' CE1' ' A' ' 73' ' ' PHE . 94.2 t -152.67 116.12 0.51 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.472 1.107 . . . . 0.0 109.321 -179.993 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 69' ' ' ASN . . . . . 0.896 ' ND2' HD23 ' A' ' 91' ' ' LEU . 1.0 OUTLIER 55.26 19.64 3.06 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.461 1.101 . . . . 0.0 109.275 -179.997 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 93.58 14.54 52.92 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.557 1.161 . . . . 0.0 110.983 179.929 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 71' ' ' VAL . . . . . 0.495 HG23 ' O ' ' A' ' 68' ' ' VAL . 90.3 t -91.84 141.07 15.06 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.475 0.75 . . . . 0.0 109.265 -179.954 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 1.1 t70 -76.13 86.3 2.99 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.509 1.131 . . . . 0.0 109.325 179.982 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 73' ' ' PHE . . . . . 0.734 ' CG ' HD12 ' A' ' 76' ' ' LEU . 3.7 m-85 -90.53 19.53 5.24 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.538 1.149 . . . . 0.0 111.003 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -74.03 -56.76 4.54 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.526 1.141 . . . . 0.0 109.951 -179.952 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -114.13 45.99 1.41 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.464 1.103 . . . . 0.0 109.309 180.0 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 76' ' ' LEU . . . . . 0.8 HD22 ' HB2' ' A' ' 80' ' ' GLU . 4.5 mt -84.01 -165.49 1.15 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.529 1.143 . . . . 0.0 109.31 179.995 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 77' ' ' ASP . . . . . 0.403 ' OD2' ' N ' ' A' ' 79' ' ' LYS . 26.4 t70 -132.29 169.12 16.92 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.538 1.149 . . . . 0.0 109.255 -179.957 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 78' ' ' HIS . . . . . . . . . . . . . 51.4 t-80 -73.46 -7.43 51.73 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.536 1.148 . . . . 0.0 109.577 -179.963 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 79' ' ' LYS . . . . . 0.403 ' N ' ' OD2' ' A' ' 77' ' ' ASP . 9.6 mttm -109.38 -28.54 8.9 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.475 1.11 . . . . 0.0 109.308 179.978 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 80' ' ' GLU . . . . . 0.8 ' HB2' HD22 ' A' ' 76' ' ' LEU . 3.2 mm-40 -86.0 -36.01 20.03 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.478 1.111 . . . . 0.0 110.254 -179.98 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 81' ' ' ALA . . . . . 0.606 ' O ' HD12 ' A' ' 85' ' ' LEU . . . -73.8 -20.16 60.55 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.499 1.124 . . . . 0.0 109.32 -179.972 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 82' ' ' VAL . . . . . 0.745 ' CG2' HD11 ' A' ' 33' ' ' ILE . 3.7 t -91.06 -39.1 11.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.488 1.118 . . . . 0.0 109.266 -179.976 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 83' ' ' ASN . . . . . 0.452 ' HA ' ' CD ' ' A' ' 86' ' ' LYS . 1.7 m-20 -61.18 -41.75 97.35 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.52 1.137 . . . . 0.0 109.337 179.965 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 84' ' ' VAL . . . . . 0.457 HG11 ' HE1' ' A' ' 73' ' ' PHE . 72.4 t -73.86 -33.8 38.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.516 1.135 . . . . 0.0 109.29 -179.951 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 85' ' ' LEU . . . . . 0.606 HD12 ' O ' ' A' ' 81' ' ' ALA . 24.7 mt -74.26 -30.34 62.08 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.503 1.127 . . . . 0.0 109.308 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 86' ' ' LYS . . . . . 0.525 ' HD2' HG12 ' A' ' 82' ' ' VAL . 0.0 OUTLIER -97.92 -1.34 43.11 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.441 1.088 . . . . 0.0 109.257 -179.982 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 34.2 t -63.74 -62.29 1.75 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.537 1.148 . . . . 0.0 110.012 -179.992 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 88' ' ' SER . . . . . 0.558 ' O ' HD11 ' A' ' 91' ' ' LEU . 0.3 OUTLIER -120.79 178.34 4.74 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.518 1.136 . . . . 0.0 109.977 -179.974 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 89' ' ' ARG . . . . . 0.401 ' O ' ' O ' ' A' ' 21' ' ' ILE . 4.6 mmt180 -91.41 -58.17 2.53 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.487 1.117 . . . . 0.0 110.29 -179.972 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -81.48 109.75 16.24 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.549 1.156 . . . . 0.0 109.979 -179.971 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 91' ' ' LEU . . . . . 0.896 HD23 ' ND2' ' A' ' 69' ' ' ASN . 1.1 mt -137.26 143.59 42.29 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.517 1.136 . . . . 0.0 109.3 179.987 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 92' ' ' THR . . . . . 0.445 HG23 ' CG ' ' A' ' 18' ' ' LYS . 4.2 m -101.93 102.74 13.33 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.482 1.114 . . . . 0.0 110.435 179.966 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 93' ' ' ILE . . . . . 0.753 HG23 HG23 ' A' ' 65' ' ' ILE . 17.3 mt -89.2 135.14 26.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.514 1.134 . . . . 0.0 109.283 -179.981 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 94' ' ' SER . . . . . 0.678 ' O ' HG22 ' A' ' 66' ' ' VAL . 0.5 OUTLIER -117.0 106.13 13.07 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.542 1.152 . . . . 0.0 109.961 179.999 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 95' ' ' ILE . . . . . 0.599 HD13 ' HB3' ' A' ' 63' ' ' ASP . 2.2 pt -104.12 176.01 1.01 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.54 1.15 . . . . 0.0 109.308 179.966 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 96' ' ' VAL . . . . . 0.845 ' HB ' ' HB2' ' A' ' 99' ' ' ALA . 78.1 t -115.48 33.82 1.25 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.459 1.1 . . . . 0.0 109.309 -179.989 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 97' ' ' ALA . . . . . 0.415 ' O ' ' O ' ' A' ' 96' ' ' VAL . . . 46.04 95.3 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.485 1.116 . . . . 0.0 109.344 179.988 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 98' ' ' ALA . . . . . 0.562 ' HB1' ' HG3' ' A' ' 101' ' ' ARG . . . 45.88 58.54 4.29 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.51 1.131 . . . . 0.0 109.296 -179.98 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 99' ' ' ALA . . . . . 0.845 ' HB2' ' HB ' ' A' ' 96' ' ' VAL . . . -61.43 -67.08 0.44 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.544 1.153 . . . . 0.0 109.334 179.988 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . -104.96 58.28 0.48 Allowed Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.537 1.148 . . . . 0.0 111.007 179.973 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 101' ' ' ARG . . . . . 0.562 ' HG3' ' HB1' ' A' ' 98' ' ' ALA . 0.0 OUTLIER -72.03 -31.7 66.42 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.484 0.755 . . . . 0.0 110.303 179.995 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 5.5 pt-20 -58.12 -31.28 67.02 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.469 1.105 . . . . 0.0 110.268 -179.996 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 103' ' ' LEU . . . . . 0.886 HD11 ' HG2' ' A' ' 40' ' ' LYS . 43.1 mt -50.73 -45.04 58.44 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.521 1.138 . . . . 0.0 109.307 179.975 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 104' ' ' PHE . . . . . 0.421 ' CZ ' ' O ' ' A' ' 45' ' ' ILE . 41.9 m-85 . . . . . 0 C--N 1.325 -0.482 0 O-C-N 124.528 1.143 . . . . 0.0 111.044 179.966 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 23.2 mt-10 . . . . . 0 N--CA 1.453 -0.276 0 N-CA-C 110.273 -0.269 . . . . 0.0 110.273 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . 0.609 ' CE ' HD11 ' A' ' 95' ' ' ILE . 0.1 OUTLIER -112.18 143.9 42.46 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.567 1.167 . . . . 0.0 109.251 -179.977 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . 0.525 ' HD3' HG23 ' A' ' 92' ' ' THR . 0.0 OUTLIER -95.97 120.31 36.02 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.505 1.128 . . . . 0.0 109.291 179.982 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 19' ' ' VAL . . . . . 0.48 HG23 ' O ' ' A' ' 93' ' ' ILE . 0.2 OUTLIER -121.21 135.93 59.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.522 1.139 . . . . 0.0 109.27 -179.979 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 0.9 OUTLIER -108.76 113.93 27.28 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.44 1.088 . . . . 0.0 111.017 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 21' ' ' ILE . . . . . 0.46 ' CG1' HD12 ' A' ' 93' ' ' ILE . 20.9 mm -104.64 102.1 13.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.489 1.118 . . . . 0.0 109.297 179.977 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 22' ' ' SER . . . . . 0.429 ' C ' HD22 ' A' ' 23' ' ' LEU . 7.4 t -102.19 131.69 48.57 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.465 1.103 . . . . 0.0 110.007 -179.999 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.476 HD13 ' CD1' ' A' ' 53' ' ' LEU . 2.7 mm? . . . . . 0 C--N 1.325 -0.494 0 O-C-N 124.507 1.129 . . . . 0.0 109.35 179.984 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.032 0 N-CA-C 110.992 -0.843 . . . . 0.0 110.992 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 31' ' ' CYS . . . . . 0.487 ' HG ' ' HG ' ' A' ' 54' ' ' SER . 26.0 p -115.67 146.97 41.37 Favored 'General case' 0 C--N 1.325 -0.471 0 N-CA-C 108.322 -0.992 . . . . 0.0 108.322 179.984 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -108.19 136.5 47.75 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.515 1.134 . . . . 0.0 109.981 -179.935 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 33' ' ' ILE . . . . . 0.49 HD11 ' CG2' ' A' ' 82' ' ' VAL . 13.6 pt -107.21 144.88 15.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.485 1.116 . . . . 0.0 109.339 179.948 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 25.0 m -128.07 152.88 47.44 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.476 1.11 . . . . 0.0 110.019 179.984 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 90.2 p -83.81 139.82 32.44 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.486 1.116 . . . . 0.0 109.988 179.994 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -90.88 162.0 28.52 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.501 1.126 . . . . 0.0 111.035 179.95 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 -170.2 0.74 Allowed 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.514 1.797 . . . . 0.0 110.976 -179.982 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 5.2 tt -73.92 -29.53 26.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.46 1.1 . . . . 0.0 109.276 -179.986 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 12.6 pt20 -79.65 -28.47 40.85 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.49 1.119 . . . . 0.0 110.295 -179.972 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 40' ' ' LYS . . . . . 0.942 ' HG2' HD11 ' A' ' 103' ' ' LEU . 0.0 OUTLIER -136.77 61.83 38.02 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.514 1.134 . . . . 0.0 109.299 -179.971 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 41' ' ' PRO . . . . . 0.469 ' HD3' ' N ' ' A' ' 40' ' ' LYS . 18.3 Cg_endo -74.91 146.21 32.76 Favored 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.501 1.79 . . . . 0.0 111.037 179.967 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 142.31 -160.33 27.23 Favored Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.502 1.126 . . . . 0.0 110.983 179.979 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 43' ' ' ILE . . . . . 0.53 HG22 HD12 ' A' ' 65' ' ' ILE . 15.0 mm -119.81 126.03 74.9 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.474 0.749 . . . . 0.0 109.277 -179.938 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 44' ' ' PHE . . . . . 0.589 ' N ' ' CD1' ' A' ' 44' ' ' PHE . 0.8 OUTLIER -137.06 140.86 42.31 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.47 1.106 . . . . 0.0 111.016 -179.986 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 21.6 mt -64.96 142.25 17.16 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.515 1.134 . . . . 0.0 109.288 -179.993 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 1.1 p -110.5 -35.91 5.91 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.501 1.125 . . . . 0.0 109.958 -179.948 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 47' ' ' HIS . . . . . 0.441 ' O ' ' HA ' ' A' ' 31' ' ' CYS . 57.1 t-80 -158.95 147.87 18.55 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.505 1.128 . . . . 0.0 109.635 -179.963 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 48' ' ' VAL . . . . . 0.457 HG21 ' HB2' ' A' ' 54' ' ' SER . 2.5 p . . . . . 0 C--N 1.325 -0.485 0 O-C-N 124.503 1.127 . . . . 0.0 109.271 -179.969 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 14.3 p . . . . . 0 N--CA 1.453 -0.29 0 N-CA-C 109.967 -0.382 . . . . 0.0 109.967 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . 0.765 HD23 ' CD ' ' A' ' 56' ' ' GLU . 0.8 OUTLIER -88.45 -21.64 24.12 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.483 1.114 . . . . 0.0 109.304 -179.997 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 54' ' ' SER . . . . . 0.548 ' HB3' HD12 ' A' ' 59' ' ' LEU . 1.1 m -95.83 -29.75 14.05 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.543 1.152 . . . . 0.0 109.94 -179.949 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -73.49 -22.61 60.1 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.496 1.122 . . . . 0.0 109.33 -179.999 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . 0.765 ' CD ' HD23 ' A' ' 53' ' ' LEU . 3.6 pt-20 -72.88 -37.98 67.14 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.468 1.105 . . . . 0.0 110.288 -179.981 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 57' ' ' VAL . . . . . 0.504 ' CG2' ' HG ' ' A' ' 59' ' ' LEU . 0.9 OUTLIER -79.99 -26.84 12.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.475 1.109 . . . . 0.0 109.305 179.952 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 104.99 43.69 1.61 Allowed Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.477 1.11 . . . . 0.0 111.008 -179.968 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 59' ' ' LEU . . . . . 0.548 HD12 ' HB3' ' A' ' 54' ' ' SER . 19.2 mt -91.03 147.2 23.24 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.494 0.761 . . . . 0.0 109.281 179.978 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 33.0 mt-10 -143.9 163.02 34.6 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.503 1.127 . . . . 0.0 110.257 -179.993 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 32.7 mt -55.09 124.83 8.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.486 1.116 . . . . 0.0 109.296 179.993 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 121.01 -34.35 4.06 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.478 1.111 . . . . 0.0 111.008 -179.957 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 63' ' ' ASP . . . . . 0.471 ' OD2' ' CD2' ' A' ' 59' ' ' LEU . 90.8 m-20 -51.52 99.86 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.481 0.753 . . . . 0.0 109.313 -179.981 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 64' ' ' GLN . . . . . 0.623 ' HB3' ' HB3' ' A' ' 99' ' ' ALA . 29.5 tt0 -83.27 136.49 34.37 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.438 1.086 . . . . 0.0 110.314 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 65' ' ' ILE . . . . . 0.583 ' CG2' ' CG2' ' A' ' 68' ' ' VAL . 26.5 mt -89.54 109.73 20.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.479 1.112 . . . . 0.0 109.356 179.973 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 66' ' ' VAL . . . . . 0.603 HG22 ' O ' ' A' ' 94' ' ' SER . 18.6 m -100.59 -21.4 5.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.507 1.13 . . . . 0.0 109.355 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . 0.424 ' HG2' ' N ' ' A' ' 68' ' ' VAL . 27.6 tt0 -152.05 151.55 31.27 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.446 1.091 . . . . 0.0 110.306 179.964 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 68' ' ' VAL . . . . . 0.626 ' O ' HG23 ' A' ' 71' ' ' VAL . 86.4 t -151.21 113.78 0.53 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.492 1.12 . . . . 0.0 109.314 -179.986 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 69' ' ' ASN . . . . . 0.756 ' ND2' HD23 ' A' ' 91' ' ' LEU . 1.1 t-20 58.56 20.73 7.89 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.523 1.139 . . . . 0.0 109.32 -179.993 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 95.31 8.87 58.42 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.472 1.107 . . . . 0.0 111.007 -179.978 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 71' ' ' VAL . . . . . 0.626 HG23 ' O ' ' A' ' 68' ' ' VAL . 78.4 t -83.53 158.91 3.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.491 0.76 . . . . 0.0 109.261 -179.986 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 6.1 t0 -94.71 88.17 5.29 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.509 1.131 . . . . 0.0 109.328 179.958 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 73' ' ' PHE . . . . . 0.936 ' CD1' HD12 ' A' ' 76' ' ' LEU . 4.0 m-85 -91.85 17.17 9.49 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.477 1.111 . . . . 0.0 110.984 180.0 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -67.15 -38.38 85.38 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.502 1.126 . . . . 0.0 109.987 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 61.2 m-80 -140.11 54.5 1.64 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.565 1.166 . . . . 0.0 109.319 179.969 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 76' ' ' LEU . . . . . 0.936 HD12 ' CD1' ' A' ' 73' ' ' PHE . 6.2 mt -89.25 -166.76 1.68 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.505 1.128 . . . . 0.0 109.363 179.965 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 33.9 t70 -130.46 169.56 15.36 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.515 1.134 . . . . 0.0 109.283 179.982 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 78' ' ' HIS . . . . . . . . . . . . . 61.5 t-80 -70.51 -6.97 40.07 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.534 1.146 . . . . 0.0 109.584 179.979 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -108.96 -38.02 5.69 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.516 1.135 . . . . 0.0 109.29 -179.999 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 80' ' ' GLU . . . . . 0.759 ' O ' HG23 ' A' ' 84' ' ' VAL . 4.1 mt-10 -77.28 -38.05 51.61 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.535 1.147 . . . . 0.0 110.274 -179.99 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 81' ' ' ALA . . . . . 0.515 ' HA ' HD13 ' A' ' 76' ' ' LEU . . . -69.62 -33.77 73.14 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.532 1.145 . . . . 0.0 109.264 -179.985 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 82' ' ' VAL . . . . . 0.49 ' CG2' HD11 ' A' ' 33' ' ' ILE . 55.3 t -77.52 -57.37 5.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.516 1.135 . . . . 0.0 109.273 -179.971 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 8.6 t30 -46.42 -44.7 17.45 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.505 1.128 . . . . 0.0 109.316 179.984 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 84' ' ' VAL . . . . . 0.759 HG23 ' O ' ' A' ' 80' ' ' GLU . 68.9 t -62.86 -33.23 59.18 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.506 1.129 . . . . 0.0 109.336 179.961 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 85' ' ' LEU . . . . . 0.471 ' N ' ' O ' ' A' ' 82' ' ' VAL . 37.8 mt -75.38 -34.8 61.13 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.494 1.121 . . . . 0.0 109.298 -179.96 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 86' ' ' LYS . . . . . 0.471 ' O ' ' C ' ' A' ' 87' ' ' SER . 2.4 mtmt -77.54 -28.94 52.04 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.413 1.071 . . . . 0.0 109.287 179.971 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 87' ' ' SER . . . . . 0.471 ' C ' ' O ' ' A' ' 86' ' ' LYS . 40.5 t -33.87 -70.5 0.08 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.526 1.141 . . . . 0.0 110.005 -179.985 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 88' ' ' SER . . . . . 0.793 ' O ' HD11 ' A' ' 91' ' ' LEU . 0.3 OUTLIER -125.57 176.93 6.52 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.486 1.116 . . . . 0.0 109.961 -179.995 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 22.5 mmt-85 -86.84 -57.4 2.99 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.532 1.145 . . . . 0.0 110.299 179.992 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -76.68 106.07 8.12 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.5 1.125 . . . . 0.0 110.013 -179.976 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 91' ' ' LEU . . . . . 0.793 HD11 ' O ' ' A' ' 88' ' ' SER . 1.0 OUTLIER -131.21 146.67 52.42 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.55 1.156 . . . . 0.0 109.277 179.993 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 92' ' ' THR . . . . . 0.525 HG23 ' HD3' ' A' ' 18' ' ' LYS . 26.6 m -105.85 101.22 10.73 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.551 1.157 . . . . 0.0 110.393 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 93' ' ' ILE . . . . . 0.48 ' O ' HG23 ' A' ' 19' ' ' VAL . 13.6 mt -89.34 133.68 30.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.47 1.106 . . . . 0.0 109.305 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 94' ' ' SER . . . . . 0.603 ' O ' HG22 ' A' ' 66' ' ' VAL . 0.3 OUTLIER -115.17 103.08 10.51 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.48 1.112 . . . . 0.0 109.985 -179.974 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 95' ' ' ILE . . . . . 0.609 HD11 ' CE ' ' A' ' 17' ' ' LYS . 1.1 pt -100.8 166.05 2.42 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.515 1.134 . . . . 0.0 109.262 -179.982 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 96' ' ' VAL . . . . . 0.924 ' HB ' ' HB2' ' A' ' 99' ' ' ALA . 74.6 t -109.34 33.69 0.77 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.523 1.139 . . . . 0.0 109.325 179.983 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 97' ' ' ALA . . . . . 0.51 ' H ' HD12 ' A' ' 95' ' ' ILE . . . 45.4 93.29 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.501 1.126 . . . . 0.0 109.31 179.983 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 98' ' ' ALA . . . . . 0.722 ' HB1' ' HG3' ' A' ' 101' ' ' ARG . . . 47.81 58.6 4.86 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.527 1.142 . . . . 0.0 109.274 179.983 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 99' ' ' ALA . . . . . 0.924 ' HB2' ' HB ' ' A' ' 96' ' ' VAL . . . -62.32 -64.93 0.77 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.49 1.119 . . . . 0.0 109.282 -179.98 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . -105.21 57.45 0.5 Allowed Glycine 0 CA--C 1.531 1.041 0 O-C-N 124.513 1.133 . . . . 0.0 110.988 -179.982 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 101' ' ' ARG . . . . . 0.722 ' HG3' ' HB1' ' A' ' 98' ' ' ALA . 0.0 OUTLIER -67.81 -26.84 66.28 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.497 0.763 . . . . 0.0 110.329 179.975 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 4.1 tp10 -50.73 -46.81 59.28 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.508 1.13 . . . . 0.0 110.272 179.991 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 103' ' ' LEU . . . . . 0.942 HD11 ' HG2' ' A' ' 40' ' ' LYS . 59.8 mt -42.94 -48.79 5.95 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.527 1.142 . . . . 0.0 109.358 179.987 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 104' ' ' PHE . . . . . . . . . . . . . 5.5 m-85 . . . . . 0 C--N 1.324 -0.501 0 O-C-N 124.553 1.158 . . . . 0.0 111.003 179.985 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 26.6 mt-10 . . . . . 0 N--CA 1.452 -0.325 0 N-CA-C 110.342 -0.244 . . . . 0.0 110.342 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . 0.887 ' HE2' HD11 ' A' ' 95' ' ' ILE . 0.1 OUTLIER -109.92 147.22 33.81 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.444 1.09 . . . . 0.0 109.288 -179.96 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -95.88 128.78 43.06 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.497 1.123 . . . . 0.0 109.334 179.965 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 19' ' ' VAL . . . . . 0.701 HG22 ' O ' ' A' ' 93' ' ' ILE . 23.9 m -125.4 156.58 34.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.481 1.113 . . . . 0.0 109.32 -179.985 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 20' ' ' PHE . . . . . 0.603 ' CE1' ' OG1' ' A' ' 92' ' ' THR . 2.3 t80 -131.23 111.48 11.95 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.49 1.119 . . . . 0.0 110.951 -179.986 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 21' ' ' ILE . . . . . 0.645 HG23 HD23 ' A' ' 53' ' ' LEU . 1.1 mp -95.26 101.92 13.0 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.484 1.115 . . . . 0.0 109.31 -179.987 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 22' ' ' SER . . . . . 0.678 ' O ' HD11 ' A' ' 53' ' ' LEU . 27.2 t -95.04 109.81 21.81 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.501 1.126 . . . . 0.0 109.952 -179.936 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.468 ' HB2' ' CA ' ' A' ' 89' ' ' ARG . 0.4 OUTLIER . . . . . 0 C--N 1.325 -0.46 0 O-C-N 124.474 1.109 . . . . 0.0 109.31 179.967 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.029 0 N-CA-C 111.017 -0.833 . . . . 0.0 111.017 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 31' ' ' CYS . . . . . 0.487 ' HB3' HG22 ' A' ' 48' ' ' VAL . 27.9 p -139.05 142.48 38.2 Favored 'General case' 0 C--N 1.325 -0.48 0 N-CA-C 108.289 -1.004 . . . . 0.0 108.289 -179.98 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -88.14 133.25 34.05 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.48 1.113 . . . . 0.0 110.049 179.934 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 33' ' ' ILE . . . . . 0.42 HD11 ' CG2' ' A' ' 82' ' ' VAL . 9.7 pt -112.8 143.19 23.0 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.528 0 O-C-N 124.529 1.143 . . . . 0.0 109.287 -179.98 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -137.55 166.23 24.4 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.459 1.099 . . . . 0.0 109.998 -179.988 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 61.6 m -104.17 133.23 49.44 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.499 1.125 . . . . 0.0 109.934 -179.983 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -72.99 178.06 41.06 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.525 1.14 . . . . 0.0 111.013 179.954 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 -171.4 0.97 Allowed 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.519 1.8 . . . . 0.0 110.97 -179.969 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 5.4 tt -73.38 -30.14 29.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.543 1.152 . . . . 0.0 109.29 -179.959 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 16.7 pt20 -77.64 -29.77 51.84 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.483 1.115 . . . . 0.0 110.309 179.997 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 40' ' ' LYS . . . . . 0.622 ' HD3' HD11 ' A' ' 103' ' ' LEU . 22.6 tttp -137.77 62.53 35.03 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.505 1.128 . . . . 0.0 109.314 179.972 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 41' ' ' PRO . . . . . 0.457 ' HD3' ' N ' ' A' ' 40' ' ' LYS . 18.4 Cg_endo -75.01 146.99 33.26 Favored 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.517 1.799 . . . . 0.0 110.995 179.979 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 154.58 -168.04 32.65 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.528 1.142 . . . . 0.0 110.977 -179.966 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 43' ' ' ILE . . . . . 0.68 HG22 HD12 ' A' ' 65' ' ' ILE . 14.6 mm -117.47 115.19 47.88 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.531 0.783 . . . . 0.0 109.292 -179.994 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 44' ' ' PHE . . . . . 0.595 ' CD2' ' HB2' ' A' ' 64' ' ' GLN . 2.2 m-85 -123.88 157.82 33.34 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.472 1.108 . . . . 0.0 111.001 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 45' ' ' ILE . . . . . 0.595 ' O ' ' CZ ' ' A' ' 104' ' ' PHE . 20.4 mt -86.26 142.72 12.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.447 1.092 . . . . 0.0 109.31 -179.977 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 46' ' ' SER . . . . . 0.49 ' HA ' ' CE1' ' A' ' 104' ' ' PHE . 1.0 OUTLIER -105.78 -37.4 6.72 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.485 1.116 . . . . 0.0 110.018 179.982 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 59.4 t-80 -151.28 166.44 30.94 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.483 1.114 . . . . 0.0 109.585 -179.976 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 48' ' ' VAL . . . . . 0.487 HG22 ' HB3' ' A' ' 31' ' ' CYS . 17.2 t . . . . . 0 C--N 1.325 -0.462 0 O-C-N 124.471 1.107 . . . . 0.0 109.275 -179.992 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 79.1 p . . . . . 0 N--CA 1.452 -0.325 0 N-CA-C 109.973 -0.38 . . . . 0.0 109.973 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . 0.678 HD11 ' O ' ' A' ' 22' ' ' SER . 1.5 tp -68.99 -15.43 63.48 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.494 1.121 . . . . 0.0 109.261 -179.953 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 54' ' ' SER . . . . . 0.616 ' O ' HG22 ' A' ' 57' ' ' VAL . 0.0 OUTLIER -94.1 -45.21 7.65 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.505 1.128 . . . . 0.0 109.987 -179.983 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 55' ' ' ALA . . . . . 0.445 ' O ' ' N ' ' A' ' 58' ' ' GLY . . . -66.53 -46.57 75.71 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.557 1.161 . . . . 0.0 109.31 179.989 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . 0.667 ' HG3' HG13 ' A' ' 57' ' ' VAL . 11.5 pt-20 -44.63 -33.25 1.74 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.519 1.137 . . . . 0.0 110.298 -179.99 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 57' ' ' VAL . . . . . 0.667 HG13 ' HG3' ' A' ' 56' ' ' GLU . 34.6 m -95.04 -25.77 4.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.516 1.135 . . . . 0.0 109.319 179.959 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 58' ' ' GLY . . . . . 0.445 ' N ' ' O ' ' A' ' 55' ' ' ALA . . . 102.96 36.27 3.47 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.515 1.134 . . . . 0.0 111.044 -179.967 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 59' ' ' LEU . . . . . 0.488 ' HG ' HG23 ' A' ' 57' ' ' VAL . 18.0 mt -81.7 138.26 35.27 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.505 0.767 . . . . 0.0 109.269 -179.981 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 46.0 mt-10 -134.55 167.42 20.82 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.519 1.137 . . . . 0.0 110.295 179.981 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 61' ' ' ILE . . . . . 0.468 ' O ' ' CG ' ' A' ' 101' ' ' ARG . 36.6 mt -56.93 135.62 20.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.506 1.129 . . . . 0.0 109.321 179.948 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 107.23 -31.36 8.19 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.481 1.113 . . . . 0.0 111.016 -179.987 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 63' ' ' ASP . . . . . 0.584 ' CG ' HD13 ' A' ' 95' ' ' ILE . 37.6 m-20 -54.2 97.54 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.499 0.764 . . . . 0.0 109.311 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 64' ' ' GLN . . . . . 0.595 ' HB2' ' CD2' ' A' ' 44' ' ' PHE . 36.1 tt0 -83.2 125.05 31.13 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.489 1.118 . . . . 0.0 110.254 -179.948 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 65' ' ' ILE . . . . . 0.68 HD12 HG22 ' A' ' 43' ' ' ILE . 20.0 mt -75.87 108.32 7.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.537 1.148 . . . . 0.0 109.302 179.938 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 66' ' ' VAL . . . . . 0.717 HG22 ' O ' ' A' ' 94' ' ' SER . 20.9 m -99.34 -21.37 5.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.502 1.126 . . . . 0.0 109.338 179.932 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . 0.426 ' C ' HG23 ' A' ' 68' ' ' VAL . 36.1 tt0 -153.26 153.02 31.84 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.536 1.148 . . . . 0.0 110.275 -179.984 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 68' ' ' VAL . . . . . 0.634 ' O ' HG23 ' A' ' 71' ' ' VAL . 94.3 t -152.64 115.38 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.529 1.143 . . . . 0.0 109.326 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 69' ' ' ASN . . . . . 0.861 ' ND2' HD23 ' A' ' 91' ' ' LEU . 1.0 OUTLIER 56.36 24.11 8.02 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.484 1.115 . . . . 0.0 109.285 -179.998 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 89.23 18.39 53.37 Favored Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.507 1.129 . . . . 0.0 110.969 179.968 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 71' ' ' VAL . . . . . 0.634 HG23 ' O ' ' A' ' 68' ' ' VAL . 86.6 t -93.63 158.68 2.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.535 0.785 . . . . 0.0 109.322 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 8.6 t0 -92.53 86.46 5.63 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.506 1.129 . . . . 0.0 109.293 -179.952 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 73' ' ' PHE . . . . . 0.812 ' CD1' HD12 ' A' ' 76' ' ' LEU . 4.6 m-85 -93.44 25.68 3.32 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.497 1.123 . . . . 0.0 111.021 -179.983 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -81.02 -34.93 32.5 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.5 1.125 . . . . 0.0 110.033 179.963 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 20.5 m120 -136.58 46.08 2.26 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.499 1.125 . . . . 0.0 109.297 179.995 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 76' ' ' LEU . . . . . 0.812 HD12 ' CD1' ' A' ' 73' ' ' PHE . 6.3 mt -84.72 -166.83 1.58 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.469 1.106 . . . . 0.0 109.32 -179.985 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 39.0 t70 -132.65 170.21 15.55 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.499 1.124 . . . . 0.0 109.285 179.999 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 78' ' ' HIS . . . . . . . . . . . . . 64.3 t-80 -71.39 -6.18 38.26 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.453 1.096 . . . . 0.0 109.583 179.996 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 18.0 mttt -109.39 -37.06 5.84 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.472 1.107 . . . . 0.0 109.34 179.97 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 80' ' ' GLU . . . . . 0.703 ' CB ' HD22 ' A' ' 76' ' ' LEU . 9.4 mt-10 -77.91 -36.3 49.64 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.522 1.138 . . . . 0.0 110.262 -179.979 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 81' ' ' ALA . . . . . 0.438 ' HA ' HD13 ' A' ' 76' ' ' LEU . . . -72.02 -31.89 66.63 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.557 1.161 . . . . 0.0 109.289 -179.976 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 82' ' ' VAL . . . . . 0.817 HG12 ' CE ' ' A' ' 86' ' ' LYS . 21.0 t -81.19 -40.2 18.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.52 1.138 . . . . 0.0 109.299 -179.983 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 36.1 t30 -62.03 -42.97 99.74 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.496 1.122 . . . . 0.0 109.289 179.989 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 84' ' ' VAL . . . . . 0.496 HG23 ' O ' ' A' ' 80' ' ' GLU . 78.5 t -73.99 -30.46 27.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.451 1.094 . . . . 0.0 109.276 -179.968 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 19.0 mt -76.85 -31.08 56.61 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.527 1.142 . . . . 0.0 109.259 -179.96 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 86' ' ' LYS . . . . . 0.817 ' CE ' HG12 ' A' ' 82' ' ' VAL . 8.9 ptpt -94.03 -9.37 37.01 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.488 1.118 . . . . 0.0 109.312 -179.99 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -53.62 -62.72 1.47 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.513 1.133 . . . . 0.0 109.983 -179.95 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 88' ' ' SER . . . . . 0.831 ' O ' HD11 ' A' ' 91' ' ' LEU . 0.2 OUTLIER -120.86 164.91 15.93 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.499 1.124 . . . . 0.0 109.973 179.993 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 89' ' ' ARG . . . . . 0.468 ' CA ' ' HB2' ' A' ' 23' ' ' LEU . 50.9 mmt-85 -74.06 -64.65 0.97 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.518 1.137 . . . . 0.0 110.284 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 1.1 m -81.25 122.44 27.42 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.546 1.154 . . . . 0.0 109.975 -179.96 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 91' ' ' LEU . . . . . 0.861 HD23 ' ND2' ' A' ' 69' ' ' ASN . 1.0 OUTLIER -140.94 149.21 41.56 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.521 1.138 . . . . 0.0 109.277 179.996 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 92' ' ' THR . . . . . 0.603 ' OG1' ' CE1' ' A' ' 20' ' ' PHE . 16.0 m -104.78 100.9 10.53 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.525 1.141 . . . . 0.0 110.424 179.971 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 93' ' ' ILE . . . . . 0.701 ' O ' HG22 ' A' ' 19' ' ' VAL . 22.7 mt -89.19 141.2 14.64 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.481 1.113 . . . . 0.0 109.308 -179.993 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 94' ' ' SER . . . . . 0.717 ' O ' HG22 ' A' ' 66' ' ' VAL . 0.3 OUTLIER -121.26 103.63 9.13 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.465 1.103 . . . . 0.0 110.007 -179.981 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 95' ' ' ILE . . . . . 0.887 HD11 ' HE2' ' A' ' 17' ' ' LYS . 1.1 pt -100.1 166.86 2.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.508 1.13 . . . . 0.0 109.33 179.994 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 96' ' ' VAL . . . . . 0.899 ' HB ' ' HB2' ' A' ' 99' ' ' ALA . 71.0 t -108.28 31.5 0.96 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.491 1.119 . . . . 0.0 109.263 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 97' ' ' ALA . . . . . 0.606 ' H ' HD12 ' A' ' 95' ' ' ILE . . . 47.27 96.04 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.557 1.16 . . . . 0.0 109.313 -179.976 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 98' ' ' ALA . . . . . 0.489 ' HB1' ' HG3' ' A' ' 101' ' ' ARG . . . 45.78 58.09 4.59 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.574 1.171 . . . . 0.0 109.299 179.994 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 99' ' ' ALA . . . . . 0.899 ' HB2' ' HB ' ' A' ' 96' ' ' VAL . . . -64.09 -61.54 2.2 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.439 1.087 . . . . 0.0 109.295 -179.962 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . -111.53 60.0 0.35 Allowed Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.509 1.13 . . . . 0.0 110.988 179.97 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 101' ' ' ARG . . . . . 0.489 ' HG3' ' HB1' ' A' ' 98' ' ' ALA . 0.0 OUTLIER -72.06 -24.9 61.59 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.539 0.787 . . . . 0.0 110.3 179.965 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -70.48 -22.73 62.64 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.459 1.1 . . . . 0.0 110.301 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 103' ' ' LEU . . . . . 0.622 HD11 ' HD3' ' A' ' 40' ' ' LYS . 21.1 mt -61.86 -21.71 64.91 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.534 1.146 . . . . 0.0 109.264 179.963 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 104' ' ' PHE . . . . . 0.595 ' CZ ' ' O ' ' A' ' 45' ' ' ILE . 56.9 m-85 . . . . . 0 C--N 1.325 -0.494 0 O-C-N 124.531 1.144 . . . . 0.0 110.998 179.989 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 N--CA 1.452 -0.34 0 N-CA-C 110.317 -0.253 . . . . 0.0 110.317 . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . 0.419 ' CG ' HG13 ' A' ' 95' ' ' ILE . 0.0 OUTLIER -132.43 143.83 50.07 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.507 1.129 . . . . 0.0 109.363 179.971 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -100.82 112.03 24.36 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.473 1.108 . . . . 0.0 109.298 -179.95 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 19' ' ' VAL . . . . . 0.681 HG23 ' HB ' ' A' ' 93' ' ' ILE . 3.6 m -117.37 130.25 72.56 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.523 1.139 . . . . 0.0 109.292 -179.971 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 20' ' ' PHE . . . . . 0.415 ' CD1' ' O ' ' A' ' 91' ' ' LEU . 0.1 OUTLIER -108.11 110.28 21.9 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.443 1.089 . . . . 0.0 110.995 179.977 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 20.6 mm -97.01 121.05 47.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.435 1.084 . . . . 0.0 109.261 -179.964 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 22' ' ' SER . . . . . 0.704 ' O ' HD11 ' A' ' 53' ' ' LEU . 82.6 p -118.7 119.54 34.76 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.546 1.154 . . . . 0.0 109.996 -179.993 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 4.4 mm? . . . . . 0 C--N 1.325 -0.479 0 O-C-N 124.523 1.14 . . . . 0.0 109.276 -179.97 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.029 0 N-CA-C 110.962 -0.855 . . . . 0.0 110.962 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 31' ' ' CYS . . . . . 0.446 ' HA ' ' O ' ' A' ' 47' ' ' HIS . 26.5 p -119.27 147.13 44.63 Favored 'General case' 0 C--N 1.324 -0.51 0 N-CA-C 108.312 -0.995 . . . . 0.0 108.312 179.945 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -109.45 135.44 50.48 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.52 1.137 . . . . 0.0 109.983 -179.971 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 33' ' ' ILE . . . . . 0.424 HD11 ' CG2' ' A' ' 82' ' ' VAL . 14.9 pt -104.66 152.65 6.7 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 O-C-N 124.505 1.128 . . . . 0.0 109.281 -179.945 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 34' ' ' SER . . . . . 0.423 ' HG ' ' HZ ' ' A' ' 104' ' ' PHE . 59.1 p -132.42 159.21 39.95 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.509 1.131 . . . . 0.0 109.967 -179.96 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 24.3 p -88.1 147.93 24.7 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.5 1.125 . . . . 0.0 110.025 179.984 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -104.08 160.4 16.02 Favored Glycine 0 CA--C 1.53 0.969 0 O-C-N 124.496 1.123 . . . . 0.0 110.985 -179.97 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 -166.64 0.36 Allowed 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.504 1.792 . . . . 0.0 110.978 -179.96 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 38' ' ' ILE . . . . . 0.423 HG22 ' H ' ' A' ' 38' ' ' ILE . 0.8 OUTLIER -76.65 -30.48 18.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.524 1.14 . . . . 0.0 109.307 179.996 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 7.7 pt20 -79.29 -28.31 42.24 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.489 1.118 . . . . 0.0 110.281 -179.996 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 40' ' ' LYS . . . . . 0.731 ' HG2' HD11 ' A' ' 103' ' ' LEU . 0.0 OUTLIER -136.22 61.26 38.3 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.533 1.145 . . . . 0.0 109.298 -179.972 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 41' ' ' PRO . . . . . 0.474 ' HD3' ' N ' ' A' ' 40' ' ' LYS . 18.4 Cg_endo -74.97 146.72 33.12 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.5 1.79 . . . . 0.0 111.037 179.984 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 138.09 -168.67 24.5 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.492 1.12 . . . . 0.0 111.001 -179.982 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 43' ' ' ILE . . . . . 0.663 HG22 HD12 ' A' ' 65' ' ' ILE . 14.4 mm -109.85 123.99 66.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.475 0.75 . . . . 0.0 109.295 -179.991 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 44' ' ' PHE . . . . . 0.575 ' CD2' ' HB2' ' A' ' 64' ' ' GLN . 1.4 m-85 -129.67 139.83 51.29 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.483 1.115 . . . . 0.0 110.991 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 45' ' ' ILE . . . . . 0.608 ' O ' ' CZ ' ' A' ' 104' ' ' PHE . 8.6 mt -63.88 147.21 12.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.48 1.113 . . . . 0.0 109.298 179.954 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 1.5 p -117.17 -37.62 3.51 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.492 1.12 . . . . 0.0 110.026 179.978 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 47' ' ' HIS . . . . . 0.446 ' O ' ' HA ' ' A' ' 31' ' ' CYS . 57.3 t-80 -158.96 147.68 18.4 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.493 1.121 . . . . 0.0 109.613 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 48' ' ' VAL . . . . . 0.496 HG21 ' HB2' ' A' ' 54' ' ' SER . 2.5 p . . . . . 0 C--N 1.325 -0.473 0 O-C-N 124.535 1.147 . . . . 0.0 109.282 179.978 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 26.6 p . . . . . 0 N--CA 1.453 -0.309 0 N-CA-C 110.032 -0.359 . . . . 0.0 110.032 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . 0.704 HD11 ' O ' ' A' ' 22' ' ' SER . 0.8 OUTLIER -86.83 -20.6 27.28 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.506 1.129 . . . . 0.0 109.274 179.985 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 54' ' ' SER . . . . . 0.643 ' HB3' HD12 ' A' ' 59' ' ' LEU . 0.7 OUTLIER -94.66 -30.93 14.07 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.469 1.106 . . . . 0.0 110.028 179.962 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -70.36 -19.88 63.01 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.491 1.12 . . . . 0.0 109.307 179.975 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . 0.474 ' CG ' ' O ' ' A' ' 53' ' ' LEU . 2.3 pt-20 -78.01 -33.67 51.11 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.563 1.164 . . . . 0.0 110.309 179.988 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 57' ' ' VAL . . . . . 0.512 ' CG2' ' HG ' ' A' ' 59' ' ' LEU . 0.9 OUTLIER -83.68 -23.91 7.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.478 1.111 . . . . 0.0 109.297 -179.963 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 100.86 39.09 3.22 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.436 1.085 . . . . 0.0 110.957 179.954 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 59' ' ' LEU . . . . . 0.643 HD12 ' HB3' ' A' ' 54' ' ' SER . 13.4 mt -84.8 148.71 26.18 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.505 0.768 . . . . 0.0 109.368 179.943 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 33.8 mt-10 -145.47 162.87 36.33 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.505 1.128 . . . . 0.0 110.318 -179.993 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 61' ' ' ILE . . . . . 0.444 ' O ' ' NH1' ' A' ' 101' ' ' ARG . 42.5 mt -56.05 124.25 8.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.532 1.145 . . . . 0.0 109.312 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 121.27 -38.64 2.6 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.447 1.092 . . . . 0.0 111.022 -179.942 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 63' ' ' ASP . . . . . 0.709 ' HB3' HD13 ' A' ' 95' ' ' ILE . 92.1 m-20 -48.04 98.0 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.514 0.773 . . . . 0.0 109.275 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 64' ' ' GLN . . . . . 0.636 ' HB3' ' HB3' ' A' ' 99' ' ' ALA . 5.1 tt0 -83.11 134.4 35.0 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.477 1.11 . . . . 0.0 110.312 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 65' ' ' ILE . . . . . 0.745 HG23 HG23 ' A' ' 93' ' ' ILE . 7.2 mt -88.51 110.62 21.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.483 1.114 . . . . 0.0 109.316 179.974 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 66' ' ' VAL . . . . . 0.729 HG22 ' O ' ' A' ' 94' ' ' SER . 19.4 m -100.67 -21.65 5.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.48 1.112 . . . . 0.0 109.271 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . 0.451 ' HG2' ' N ' ' A' ' 68' ' ' VAL . 48.6 tt0 -150.69 152.77 34.43 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.52 1.138 . . . . 0.0 110.3 179.958 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 68' ' ' VAL . . . . . 0.708 ' O ' HG23 ' A' ' 71' ' ' VAL . 85.0 t -152.6 121.34 0.76 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.494 1.121 . . . . 0.0 109.255 -179.93 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 69' ' ' ASN . . . . . 0.868 ' ND2' HD23 ' A' ' 91' ' ' LEU . 1.1 t-20 49.69 28.81 2.8 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.513 1.133 . . . . 0.0 109.3 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 84.37 24.67 46.34 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.485 1.115 . . . . 0.0 110.987 179.986 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 71' ' ' VAL . . . . . 0.708 HG23 ' O ' ' A' ' 68' ' ' VAL . 94.9 t -99.56 158.99 3.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.505 0.767 . . . . 0.0 109.261 -179.982 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 6.1 t0 -94.65 88.9 5.56 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.419 1.075 . . . . 0.0 109.286 179.981 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 73' ' ' PHE . . . . . 0.825 ' CD1' HD12 ' A' ' 76' ' ' LEU . 4.5 m-85 -93.97 12.78 24.96 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.492 1.12 . . . . 0.0 110.957 -179.976 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -64.04 -37.05 86.02 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.498 1.124 . . . . 0.0 109.963 -179.971 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 54.9 m-80 -141.1 55.8 1.55 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.498 1.124 . . . . 0.0 109.295 -179.998 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 76' ' ' LEU . . . . . 0.825 HD12 ' CD1' ' A' ' 73' ' ' PHE . 5.6 mt -88.97 -166.17 1.53 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.479 1.112 . . . . 0.0 109.299 -179.989 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 20.4 t70 -129.93 169.01 15.77 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.493 1.121 . . . . 0.0 109.323 179.996 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 78' ' ' HIS . . . . . . . . . . . . . 64.9 t-80 -70.97 -6.61 40.03 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.502 1.126 . . . . 0.0 109.618 179.961 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 4.7 mttm -110.1 -37.88 5.46 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.522 1.139 . . . . 0.0 109.323 179.994 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 80' ' ' GLU . . . . . 0.703 ' CB ' HD22 ' A' ' 76' ' ' LEU . 12.2 mt-10 -76.31 -34.92 59.03 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.56 1.162 . . . . 0.0 110.28 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 81' ' ' ALA . . . . . 0.472 ' HA ' HD13 ' A' ' 76' ' ' LEU . . . -72.73 -35.93 67.64 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.434 1.084 . . . . 0.0 109.28 -179.988 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 82' ' ' VAL . . . . . 0.821 HG12 ' CE ' ' A' ' 86' ' ' LYS . 45.7 t -78.83 -36.15 18.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.499 1.124 . . . . 0.0 109.287 179.997 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 83' ' ' ASN . . . . . 0.43 ' O ' ' N ' ' A' ' 87' ' ' SER . 20.1 t30 -64.19 -47.15 80.89 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.51 1.131 . . . . 0.0 109.36 -180.0 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 84' ' ' VAL . . . . . 0.537 HG11 HG21 ' A' ' 71' ' ' VAL . 77.8 t -68.51 -30.57 47.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.494 1.121 . . . . 0.0 109.288 179.971 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 23.4 mt -76.25 -40.18 52.55 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.531 1.144 . . . . 0.0 109.263 -179.974 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 86' ' ' LYS . . . . . 0.821 ' CE ' HG12 ' A' ' 82' ' ' VAL . 9.2 ptpt -86.49 -5.92 59.03 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.528 1.142 . . . . 0.0 109.339 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 87' ' ' SER . . . . . 0.43 ' N ' ' O ' ' A' ' 83' ' ' ASN . 0.2 OUTLIER -57.22 -52.26 66.03 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.486 1.116 . . . . 0.0 110.023 -179.987 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 88' ' ' SER . . . . . 0.656 ' O ' HD11 ' A' ' 91' ' ' LEU . 0.2 OUTLIER -133.87 176.04 8.93 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.503 1.127 . . . . 0.0 109.987 179.962 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 5.9 mmt180 -86.91 -60.33 2.01 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.522 1.139 . . . . 0.0 110.277 -179.977 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -81.53 116.21 21.2 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.493 1.121 . . . . 0.0 110.015 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 91' ' ' LEU . . . . . 0.868 HD23 ' ND2' ' A' ' 69' ' ' ASN . 1.0 OUTLIER -139.93 149.27 43.11 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.561 1.163 . . . . 0.0 109.31 -179.992 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 92' ' ' THR . . . . . 0.403 ' O ' ' N ' ' A' ' 69' ' ' ASN . 20.8 m -106.1 103.5 12.99 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.47 1.106 . . . . 0.0 110.384 -179.981 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 93' ' ' ILE . . . . . 0.745 HG23 HG23 ' A' ' 65' ' ' ILE . 18.6 mt -89.68 139.41 17.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.445 1.091 . . . . 0.0 109.252 -179.981 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 94' ' ' SER . . . . . 0.729 ' O ' HG22 ' A' ' 66' ' ' VAL . 0.6 OUTLIER -123.53 100.54 6.86 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.535 1.147 . . . . 0.0 109.962 -179.983 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 95' ' ' ILE . . . . . 0.709 HD13 ' HB3' ' A' ' 63' ' ' ASP . 1.8 pt -100.19 174.27 0.99 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.478 1.111 . . . . 0.0 109.334 179.959 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 96' ' ' VAL . . . . . 0.865 ' HB ' ' HB2' ' A' ' 99' ' ' ALA . 76.9 t -112.31 34.45 0.89 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.491 1.119 . . . . 0.0 109.296 -179.963 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . 45.91 93.94 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.502 1.126 . . . . 0.0 109.324 -179.984 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 98' ' ' ALA . . . . . 0.67 ' HB1' ' HG3' ' A' ' 101' ' ' ARG . . . 48.16 57.12 6.45 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.506 1.129 . . . . 0.0 109.327 -179.978 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 99' ' ' ALA . . . . . 0.865 ' HB2' ' HB ' ' A' ' 96' ' ' VAL . . . -61.15 -67.99 0.35 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.483 1.115 . . . . 0.0 109.328 -179.968 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . -102.71 57.34 0.6 Allowed Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.514 1.134 . . . . 0.0 111.007 179.986 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 101' ' ' ARG . . . . . 0.67 ' HG3' ' HB1' ' A' ' 98' ' ' ALA . 0.0 OUTLIER -66.2 -33.81 76.61 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.483 0.755 . . . . 0.0 110.285 -179.996 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 14.0 pt-20 -49.95 -41.24 46.08 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.509 1.131 . . . . 0.0 110.324 -179.975 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 103' ' ' LEU . . . . . 0.731 HD11 ' HG2' ' A' ' 40' ' ' LYS . 63.9 mt -41.31 -42.82 2.29 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.499 1.124 . . . . 0.0 109.319 179.981 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 104' ' ' PHE . . . . . 0.608 ' CZ ' ' O ' ' A' ' 45' ' ' ILE . 19.2 m-85 . . . . . 0 C--N 1.325 -0.464 0 O-C-N 124.494 1.121 . . . . 0.0 111.009 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.968 0 N-CA-C 110.992 -0.843 . . . . 0.0 110.992 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 16.7 p -164.0 108.59 1.0 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.466 0.745 . . . . 0.0 110.016 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -170.53 117.3 0.51 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.539 1.15 . . . . 0.0 110.012 179.977 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -120.07 143.36 16.71 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.518 1.136 . . . . 0.0 110.995 -179.976 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -134.21 126.19 29.38 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.493 0.761 . . . . 0.0 110.028 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 32.6 t -82.52 -27.35 31.78 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.54 1.15 . . . . 0.0 110.011 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 64.0 160.87 0.39 Allowed Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.514 1.134 . . . . 0.0 110.954 179.973 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 12.6 m -101.21 107.93 52.58 Favored Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.464 0.743 . . . . 0.0 109.999 -179.946 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 177.73 8.18 Favored 'Trans proline' 0 C--N 1.359 1.117 0 O-C-N 124.476 1.777 . . . . 0.0 110.981 -179.97 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 134.01 87.78 0.3 Allowed Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.471 1.107 . . . . 0.0 110.997 179.958 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 15.9 p30 -159.74 149.68 18.52 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.496 0.763 . . . . 0.0 109.296 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 7.9 mtp85 -159.34 90.5 0.96 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.447 1.092 . . . . 0.0 110.301 -179.946 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -154.45 160.43 41.61 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.525 1.141 . . . . 0.0 110.286 -180.0 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 6.0 m-20 -142.93 -57.64 0.43 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.561 1.163 . . . . 0.0 109.306 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 7.9 mttt -72.79 170.92 13.63 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.446 1.091 . . . . 0.0 109.322 179.972 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 17.0 mt-10 45.29 90.03 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.556 1.16 . . . . 0.0 110.249 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . 0.535 ' HE3' HD11 ' A' ' 95' ' ' ILE . 0.1 OUTLIER -110.25 149.64 29.85 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.521 1.138 . . . . 0.0 109.275 179.99 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -101.99 119.71 39.24 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.479 1.112 . . . . 0.0 109.262 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -120.9 117.32 52.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.521 1.138 . . . . 0.0 109.261 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' PHE . . . . . 0.575 ' CE2' ' OG1' ' A' ' 92' ' ' THR . 0.1 OUTLIER -96.35 114.19 25.84 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.497 1.123 . . . . 0.0 110.998 179.99 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' ILE . . . . . 0.517 HG13 HD12 ' A' ' 93' ' ' ILE . 8.6 mm -96.83 123.26 49.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.51 1.131 . . . . 0.0 109.28 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 22.4 t -111.16 123.74 50.8 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.522 1.139 . . . . 0.0 109.976 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.458 HD11 ' H ' ' A' ' 29' ' ' LEU . 2.9 mm? -98.67 66.96 1.7 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.464 1.102 . . . . 0.0 109.266 -179.974 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 2.5 m -134.36 168.65 23.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.51 1.131 . . . . 0.0 109.306 179.977 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 45.29 -165.82 0.05 OUTLIER Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.49 1.119 . . . . 0.0 111.024 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 28.1 t -73.28 84.35 1.41 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.522 0.777 . . . . 0.0 110.038 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . 0.746 ' CG ' HD22 ' A' ' 53' ' ' LEU . 1.2 tpp180 -178.83 111.37 0.06 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.517 1.136 . . . . 0.0 110.302 -179.945 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -130.24 133.51 7.42 Favored Glycine 0 CA--C 1.531 1.051 0 O-C-N 124.544 1.152 . . . . 0.0 110.994 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . 0.543 HD11 ' SG ' ' A' ' 31' ' ' CYS . 2.2 tp -40.9 146.78 0.14 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.521 0.777 . . . . 0.0 109.332 179.965 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . 0.413 ' N ' ' HB2' ' A' ' 52' ' ' SER . . . -146.47 30.78 1.56 Allowed Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.471 1.107 . . . . 0.0 111.005 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' CYS . . . . . 0.543 ' SG ' HD11 ' A' ' 29' ' ' LEU . 21.8 p -110.67 149.21 30.78 Favored 'General case' 0 C--N 1.325 -0.461 0 N-CA-C 108.225 -1.028 . . . . 0.0 108.225 -179.916 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -100.36 140.42 34.63 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.464 1.102 . . . . 0.0 109.978 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 9.2 pt -113.66 145.66 19.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.483 1.114 . . . . 0.0 109.308 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -125.72 166.83 16.06 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.502 1.126 . . . . 0.0 110.038 179.973 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 16.7 p -109.14 126.77 53.58 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.5 1.125 . . . . 0.0 110.012 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -76.13 168.79 54.83 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.473 1.108 . . . . 0.0 110.983 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.04 -172.92 1.39 Allowed 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.51 1.795 . . . . 0.0 111.017 179.966 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' ILE . . . . . 0.422 HG22 ' H ' ' A' ' 38' ' ' ILE . 5.3 tt -71.65 -29.53 34.79 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.53 1.144 . . . . 0.0 109.307 -179.975 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 10.8 pt20 -77.44 -31.82 54.14 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.48 1.113 . . . . 0.0 110.282 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . 0.54 ' HD3' HD11 ' A' ' 103' ' ' LEU . 25.3 tttp -137.79 62.43 34.44 Favored Pre-proline 0 C--N 1.326 -0.454 0 O-C-N 124.467 1.105 . . . . 0.0 109.346 179.949 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' PRO . . . . . 0.453 ' HD3' ' N ' ' A' ' 40' ' ' LYS . 18.4 Cg_endo -74.96 144.97 31.05 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.508 1.794 . . . . 0.0 110.999 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 156.69 -168.19 33.77 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.443 1.089 . . . . 0.0 111.022 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 43' ' ' ILE . . . . . 0.49 HG22 HD12 ' A' ' 65' ' ' ILE . 6.9 mm -118.51 115.24 47.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.499 0.764 . . . . 0.0 109.294 179.96 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 44' ' ' PHE . . . . . 0.571 ' CD2' ' HB2' ' A' ' 64' ' ' GLN . 2.2 m-85 -121.65 147.59 45.67 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.45 1.094 . . . . 0.0 111.012 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 19.3 mt -76.41 140.3 17.45 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.462 1.101 . . . . 0.0 109.318 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -105.49 -38.37 6.48 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.497 1.123 . . . . 0.0 109.996 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 47' ' ' HIS . . . . . 0.41 ' O ' ' HA ' ' A' ' 31' ' ' CYS . 60.4 t-80 -153.64 157.39 39.55 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.477 1.111 . . . . 0.0 109.595 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 48' ' ' VAL . . . . . 0.462 HG22 ' HB3' ' A' ' 31' ' ' CYS . 52.7 t -134.38 124.55 45.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.519 1.137 . . . . 0.0 109.317 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 29.0 mtpt -72.69 149.92 90.77 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.463 1.102 . . . . 0.0 109.318 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 111.59 3.36 Favored 'Trans proline' 0 C--N 1.359 1.124 0 O-C-N 124.453 1.765 . . . . 0.0 110.962 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 91.41 32.07 9.07 Favored Glycine 0 CA--C 1.531 1.048 0 O-C-N 124.542 1.151 . . . . 0.0 110.992 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 52' ' ' SER . . . . . 0.618 ' H ' ' HB3' ' A' ' 55' ' ' ALA . 34.7 p -96.03 174.58 6.85 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.56 0.8 . . . . 0.0 110.007 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . 0.746 HD22 ' CG ' ' A' ' 27' ' ' ARG . 0.1 OUTLIER -65.07 -19.99 66.26 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.535 1.147 . . . . 0.0 109.256 -179.964 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . 0.54 ' O ' HG22 ' A' ' 57' ' ' VAL . 0.1 OUTLIER -94.55 -32.62 13.38 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.458 1.099 . . . . 0.0 110.01 -179.965 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . 0.618 ' HB3' ' H ' ' A' ' 52' ' ' SER . . . -70.11 -35.5 74.18 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.507 1.129 . . . . 0.0 109.26 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . 0.639 ' CD ' HD13 ' A' ' 53' ' ' LEU . 6.4 pt-20 -59.79 -37.03 77.95 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.48 1.113 . . . . 0.0 110.312 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 57' ' ' VAL . . . . . 0.54 HG22 ' O ' ' A' ' 54' ' ' SER . 29.7 m -81.83 -21.35 10.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.509 1.131 . . . . 0.0 109.312 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 94.82 28.6 9.97 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.518 1.136 . . . . 0.0 111.041 -179.954 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . 0.485 ' HG ' HG23 ' A' ' 57' ' ' VAL . 14.9 mt -69.22 141.42 54.48 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.486 0.756 . . . . 0.0 109.298 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 18.5 mt-10 -132.71 169.4 16.73 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.487 1.117 . . . . 0.0 110.323 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 80.5 mt -62.97 132.18 28.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.49 1.119 . . . . 0.0 109.293 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 116.64 -31.75 5.81 Favored Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.462 1.101 . . . . 0.0 111.032 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . 0.429 ' CG ' HD13 ' A' ' 95' ' ' ILE . 75.3 m-20 -55.53 98.31 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.497 0.763 . . . . 0.0 109.308 179.93 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 64' ' ' GLN . . . . . 0.571 ' HB2' ' CD2' ' A' ' 44' ' ' PHE . 52.1 tt0 -83.13 130.51 35.12 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.49 1.119 . . . . 0.0 110.291 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 65' ' ' ILE . . . . . 0.731 HG23 HG23 ' A' ' 93' ' ' ILE . 19.0 mt -83.89 108.4 16.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.466 1.104 . . . . 0.0 109.289 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . 0.656 HG22 ' O ' ' A' ' 94' ' ' SER . 9.3 m -98.1 -24.66 4.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.493 1.121 . . . . 0.0 109.32 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . 0.429 ' HG2' ' N ' ' A' ' 68' ' ' VAL . 29.7 tt0 -150.24 152.97 35.4 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.481 1.113 . . . . 0.0 110.264 -179.974 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 68' ' ' VAL . . . . . 0.649 ' O ' HG23 ' A' ' 71' ' ' VAL . 98.9 t -152.26 112.09 0.41 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.482 1.114 . . . . 0.0 109.308 179.957 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 69' ' ' ASN . . . . . 0.813 HD22 HD23 ' A' ' 91' ' ' LEU . 1.1 t-20 58.15 31.47 20.79 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.533 1.145 . . . . 0.0 109.329 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 81.22 22.42 60.82 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.477 1.111 . . . . 0.0 110.995 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 71' ' ' VAL . . . . . 0.649 HG23 ' O ' ' A' ' 68' ' ' VAL . 60.8 t -99.07 158.66 3.56 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.537 0.787 . . . . 0.0 109.297 179.972 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 72' ' ' ASP . . . . . 0.446 ' OD1' ' ND2' ' A' ' 75' ' ' ASN . 1.9 t70 -93.43 86.66 5.32 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.536 1.148 . . . . 0.0 109.351 179.968 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 73' ' ' PHE . . . . . 0.913 ' CD1' HD12 ' A' ' 76' ' ' LEU . 4.3 m-85 -93.41 16.99 12.14 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.511 1.132 . . . . 0.0 110.987 -179.977 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -88.6 -1.79 58.25 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.53 1.144 . . . . 0.0 110.03 179.96 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 75' ' ' ASN . . . . . 0.446 ' ND2' ' OD1' ' A' ' 72' ' ' ASP . 2.0 p30 -154.62 24.35 0.46 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.532 1.145 . . . . 0.0 109.305 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 76' ' ' LEU . . . . . 0.913 HD12 ' CD1' ' A' ' 73' ' ' PHE . 7.0 mt -78.45 -167.99 1.23 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.525 1.141 . . . . 0.0 109.255 -179.967 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 16.8 t70 -134.65 175.08 9.87 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.548 1.155 . . . . 0.0 109.262 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 78' ' ' HIS . . . . . . . . . . . . . 66.1 t-80 -73.27 -6.87 48.82 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.49 1.119 . . . . 0.0 109.626 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 15.6 mmtt -108.21 -37.57 5.99 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.482 1.114 . . . . 0.0 109.309 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 80' ' ' GLU . . . . . 0.708 ' CB ' HD22 ' A' ' 76' ' ' LEU . 2.3 mm-40 -79.56 -36.31 38.47 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.536 1.148 . . . . 0.0 110.279 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 81' ' ' ALA . . . . . 0.5 ' HA ' HD13 ' A' ' 76' ' ' LEU . . . -72.45 -29.01 63.29 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.483 1.114 . . . . 0.0 109.304 -179.968 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 82' ' ' VAL . . . . . 0.747 HG12 ' CE ' ' A' ' 86' ' ' LYS . 18.0 t -80.84 -45.14 21.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.474 1.109 . . . . 0.0 109.34 179.961 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 83' ' ' ASN . . . . . 0.411 ' O ' ' N ' ' A' ' 87' ' ' SER . 43.4 t30 -59.88 -46.24 89.96 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.481 1.113 . . . . 0.0 109.306 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 84' ' ' VAL . . . . . 0.617 HG11 ' HE1' ' A' ' 73' ' ' PHE . 62.8 t -67.27 -34.44 69.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.471 1.107 . . . . 0.0 109.272 -179.951 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 85' ' ' LEU . . . . . 0.437 HD12 ' O ' ' A' ' 81' ' ' ALA . 23.6 mt -73.02 -34.9 66.63 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.506 1.129 . . . . 0.0 109.337 179.979 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 86' ' ' LYS . . . . . 0.747 ' CE ' HG12 ' A' ' 82' ' ' VAL . 0.0 OUTLIER -90.64 -3.74 57.3 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.491 1.119 . . . . 0.0 109.316 179.966 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 87' ' ' SER . . . . . 0.411 ' N ' ' O ' ' A' ' 83' ' ' ASN . 36.8 t -56.78 -66.05 0.51 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.477 1.11 . . . . 0.0 109.981 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 88' ' ' SER . . . . . 0.606 ' O ' HD11 ' A' ' 91' ' ' LEU . 0.3 OUTLIER -116.63 171.58 7.78 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.506 1.129 . . . . 0.0 109.981 -179.97 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 4.8 mmp_? -78.53 -60.71 2.26 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.465 1.103 . . . . 0.0 110.331 179.967 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 5.6 p -87.03 123.17 31.83 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.491 1.12 . . . . 0.0 110.028 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 91' ' ' LEU . . . . . 0.813 HD23 HD22 ' A' ' 69' ' ' ASN . 1.1 mt -140.71 144.89 35.85 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.491 1.119 . . . . 0.0 109.26 -179.964 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 92' ' ' THR . . . . . 0.575 ' OG1' ' CE2' ' A' ' 20' ' ' PHE . 9.6 m -100.81 101.58 12.46 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.481 1.113 . . . . 0.0 110.437 179.954 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 93' ' ' ILE . . . . . 0.731 HG23 HG23 ' A' ' 65' ' ' ILE . 14.2 mt -89.66 135.07 27.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.5 1.125 . . . . 0.0 109.265 -179.925 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 94' ' ' SER . . . . . 0.656 ' O ' HG22 ' A' ' 66' ' ' VAL . 0.3 OUTLIER -114.35 100.96 8.71 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.522 1.139 . . . . 0.0 109.975 -179.979 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 95' ' ' ILE . . . . . 0.535 HD11 ' HE3' ' A' ' 17' ' ' LYS . 1.2 pt -100.4 167.3 2.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.482 1.114 . . . . 0.0 109.285 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 96' ' ' VAL . . . . . 0.931 ' HB ' ' HB2' ' A' ' 99' ' ' ALA . 83.4 t -109.48 33.51 0.8 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.542 1.151 . . . . 0.0 109.272 -179.98 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 97' ' ' ALA . . . . . 0.423 ' H ' HD12 ' A' ' 95' ' ' ILE . . . 44.33 94.02 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.467 1.104 . . . . 0.0 109.286 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 98' ' ' ALA . . . . . 0.686 ' HB1' ' HG3' ' A' ' 101' ' ' ARG . . . 48.59 57.94 5.77 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.509 1.131 . . . . 0.0 109.318 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 99' ' ' ALA . . . . . 0.931 ' HB2' ' HB ' ' A' ' 96' ' ' VAL . . . -62.32 -63.86 1.11 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.434 1.084 . . . . 0.0 109.296 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . -106.96 59.15 0.39 Allowed Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.505 1.128 . . . . 0.0 110.971 -179.978 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 101' ' ' ARG . . . . . 0.686 ' HG3' ' HB1' ' A' ' 98' ' ' ALA . 0.1 OUTLIER -71.98 -21.93 61.51 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.523 0.778 . . . . 0.0 110.34 180.0 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -75.57 -17.86 59.93 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.512 1.132 . . . . 0.0 110.281 179.978 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 103' ' ' LEU . . . . . 0.54 HD11 ' HD3' ' A' ' 40' ' ' LYS . 26.2 mt -66.82 -14.61 62.86 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.522 1.139 . . . . 0.0 109.276 -179.971 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 104' ' ' PHE . . . . . . . . . . . . . 82.0 m-85 -124.55 -50.34 1.75 Allowed 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.488 1.118 . . . . 0.0 111.002 -179.959 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 105' ' ' MET . . . . . 0.425 ' O ' ' N ' ' A' ' 107' ' ' ASP . 21.8 mmt -45.03 -51.47 9.96 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.524 1.14 . . . . 0.0 111.045 179.955 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 19.9 m -43.47 96.61 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.529 1.143 . . . . 0.0 110.421 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 107' ' ' ASP . . . . . 0.425 ' N ' ' O ' ' A' ' 105' ' ' MET . 1.4 t0 73.37 141.21 0.06 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.53 1.144 . . . . 0.0 109.295 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -121.11 94.01 4.2 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.473 1.108 . . . . 0.0 110.274 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 44.2 t -78.82 -59.63 2.7 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.537 1.148 . . . . 0.0 109.976 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 84.8 88.17 0.88 Allowed Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.535 1.147 . . . . 0.0 110.983 180.0 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 111' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 175.4 11.29 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.476 1.777 . . . . 0.0 110.962 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 13.6 t -115.31 -57.65 2.22 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.536 1.147 . . . . 0.0 110.005 179.973 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -141.72 105.79 4.77 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.535 1.147 . . . . 0.0 109.962 179.979 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.986 0 O-C-N 124.542 1.151 . . . . 0.0 111.02 179.971 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.005 0 N-CA-C 111.014 -0.834 . . . . 0.0 111.014 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 18.8 t -151.22 116.15 5.24 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.524 0.779 . . . . 0.0 109.965 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 3.8 t -149.66 152.03 34.7 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.53 1.144 . . . . 0.0 109.984 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 168.72 169.68 32.44 Favored Glycine 0 CA--C 1.529 0.964 0 O-C-N 124.474 1.109 . . . . 0.0 111.026 -179.978 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 73.8 m 64.33 107.07 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.443 0.731 . . . . 0.0 109.944 179.944 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 3.5 m -100.4 -23.31 14.78 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.477 1.111 . . . . 0.0 110.039 179.964 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 64.44 105.14 0.01 OUTLIER Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.509 1.13 . . . . 0.0 111.01 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -136.3 159.4 70.93 Favored Pre-proline 0 C--N 1.324 -0.503 0 O-C-N 124.515 0.774 . . . . 0.0 109.984 179.982 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 -177.48 3.5 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.511 1.795 . . . . 0.0 111.036 179.97 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -122.61 102.67 0.79 Allowed Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.511 1.132 . . . . 0.0 110.986 -179.974 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 62.9 t-20 -177.06 111.68 0.08 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.545 0.791 . . . . 0.0 109.28 179.971 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 6.1 ttt180 -169.51 152.35 4.73 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.502 1.126 . . . . 0.0 110.299 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER 60.76 87.94 0.09 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.518 1.136 . . . . 0.0 110.294 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 1.6 m-20 170.81 -60.26 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.484 1.115 . . . . 0.0 109.309 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 12.7 mttt -112.01 171.03 7.74 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.471 1.107 . . . . 0.0 109.266 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 19.7 mt-10 45.83 90.5 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.511 1.132 . . . . 0.0 110.311 180.0 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . 0.895 ' CE ' HD11 ' A' ' 95' ' ' ILE . 0.0 OUTLIER -112.21 148.4 34.15 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.478 1.111 . . . . 0.0 109.284 -179.981 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -98.19 121.07 39.67 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.505 1.128 . . . . 0.0 109.288 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . 0.441 ' O ' ' N ' ' A' ' 93' ' ' ILE . 0.6 OUTLIER -126.13 127.06 70.57 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.562 1.164 . . . . 0.0 109.26 -179.985 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' PHE . . . . . 0.598 ' CE2' ' OG1' ' A' ' 92' ' ' THR . 0.1 OUTLIER -106.53 115.68 30.62 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.555 1.16 . . . . 0.0 111.006 179.971 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' ILE . . . . . 0.507 ' CG1' HD12 ' A' ' 93' ' ' ILE . 17.9 mm -95.36 107.87 20.16 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.522 1.139 . . . . 0.0 109.316 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . 0.488 ' O ' HD11 ' A' ' 53' ' ' LEU . 3.5 m -101.6 118.66 37.4 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.49 1.119 . . . . 0.0 109.968 -179.95 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 2.1 mp -95.41 77.04 3.37 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.484 1.115 . . . . 0.0 109.314 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -154.41 155.98 5.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.496 1.123 . . . . 0.0 109.283 -179.971 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 77.14 57.01 3.81 Favored Glycine 0 CA--C 1.529 0.937 0 O-C-N 124.456 1.098 . . . . 0.0 111.05 -179.975 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 46.66 88.72 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.408 0.71 . . . . 0.0 110.002 -179.981 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . 0.425 ' HB3' ' CD2' ' A' ' 53' ' ' LEU . 0.0 OUTLIER -173.89 169.98 3.99 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.432 1.083 . . . . 0.0 110.27 -179.999 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -172.97 133.12 2.53 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.491 1.12 . . . . 0.0 111.008 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . 0.545 HD21 ' HG ' ' A' ' 31' ' ' CYS . 0.9 OUTLIER -40.3 135.47 1.44 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.544 0.791 . . . . 0.0 109.291 -179.984 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -132.84 24.59 3.82 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.512 1.133 . . . . 0.0 110.971 -179.974 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 31' ' ' CYS . . . . . 0.545 ' HG ' HD21 ' A' ' 29' ' ' LEU . 23.9 p -109.38 146.48 34.36 Favored 'General case' 0 C--N 1.324 -0.514 0 N-CA-C 108.308 -0.997 . . . . 0.0 108.308 -179.977 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -100.97 138.42 38.03 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.548 1.155 . . . . 0.0 109.999 180.0 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 33' ' ' ILE . . . . . 0.535 HD11 HG23 ' A' ' 82' ' ' VAL . 8.6 pt -110.45 145.43 16.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.512 1.132 . . . . 0.0 109.339 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 60.4 p -123.36 157.73 32.66 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.467 1.105 . . . . 0.0 109.986 -179.982 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 32.9 p -97.28 128.42 44.11 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.504 1.127 . . . . 0.0 110.013 179.964 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -78.59 167.46 53.02 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.507 1.129 . . . . 0.0 110.995 179.973 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 -170.0 0.71 Allowed 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.537 1.809 . . . . 0.0 111.016 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 38' ' ' ILE . . . . . 0.417 HG22 ' H ' ' A' ' 38' ' ' ILE . 0.8 OUTLIER -74.4 -30.49 26.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.526 1.141 . . . . 0.0 109.33 179.98 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 3.0 pt20 -78.15 -29.09 48.51 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.499 1.125 . . . . 0.0 110.288 -179.979 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . 0.604 ' HD3' HD11 ' A' ' 103' ' ' LEU . 26.9 tttp -137.1 62.01 36.87 Favored Pre-proline 0 C--N 1.324 -0.511 0 O-C-N 124.529 1.143 . . . . 0.0 109.32 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 41' ' ' PRO . . . . . 0.469 ' HD3' ' N ' ' A' ' 40' ' ' LYS . 18.3 Cg_endo -74.91 145.71 32.15 Favored 'Trans proline' 0 C--N 1.361 1.188 0 O-C-N 124.467 1.772 . . . . 0.0 111.013 179.975 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 153.08 -155.79 26.34 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.496 1.122 . . . . 0.0 111.011 179.943 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 43' ' ' ILE . . . . . 0.522 HG22 HD12 ' A' ' 65' ' ' ILE . 10.9 mm -129.14 118.69 47.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.559 0.8 . . . . 0.0 109.31 180.0 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 44' ' ' PHE . . . . . 0.567 ' CD2' ' HB2' ' A' ' 64' ' ' GLN . 1.8 m-85 -124.5 146.11 49.16 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.523 1.139 . . . . 0.0 111.011 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 13.4 mt -74.64 137.57 22.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.52 1.137 . . . . 0.0 109.278 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 1.2 p -105.22 -36.91 7.08 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.507 1.129 . . . . 0.0 110.014 179.968 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 58.6 t-80 -153.94 153.17 31.54 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.52 1.138 . . . . 0.0 109.559 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 48' ' ' VAL . . . . . 0.488 HG22 ' HB3' ' A' ' 31' ' ' CYS . 22.3 t -132.56 127.93 57.1 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.514 1.134 . . . . 0.0 109.274 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 12.8 mtpt -73.02 154.86 90.74 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.534 1.146 . . . . 0.0 109.263 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.94 123.21 7.75 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.5 1.789 . . . . 0.0 111.027 179.939 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 71.23 28.63 69.73 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.534 1.146 . . . . 0.0 110.99 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 52' ' ' SER . . . . . 0.512 ' H ' ' HB3' ' A' ' 55' ' ' ALA . 87.1 p -83.58 -166.99 1.53 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.485 0.756 . . . . 0.0 110.029 179.984 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . 0.667 HD13 ' CD ' ' A' ' 56' ' ' GLU . 0.0 OUTLIER -77.96 -23.85 48.32 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.55 1.156 . . . . 0.0 109.299 179.987 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . 0.42 ' O ' HG22 ' A' ' 57' ' ' VAL . 0.0 OUTLIER -94.23 -26.59 16.58 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.492 1.12 . . . . 0.0 110.013 179.979 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . 0.512 ' HB3' ' H ' ' A' ' 52' ' ' SER . . . -75.01 -27.55 60.15 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.504 1.127 . . . . 0.0 109.277 -179.984 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . 0.667 ' CD ' HD13 ' A' ' 53' ' ' LEU . 6.4 pt-20 -70.62 -36.77 73.65 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.468 1.105 . . . . 0.0 110.348 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 57' ' ' VAL . . . . . 0.495 HG13 ' HG3' ' A' ' 56' ' ' GLU . 18.1 m -82.01 -23.59 9.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.528 1.142 . . . . 0.0 109.264 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 99.61 20.28 17.64 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.536 1.148 . . . . 0.0 111.018 -179.96 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . 0.41 ' HG ' ' CG2' ' A' ' 57' ' ' VAL . 13.7 mt -69.62 137.81 52.57 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.492 0.76 . . . . 0.0 109.274 179.991 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 24.7 mt-10 -133.66 173.13 11.85 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.474 1.109 . . . . 0.0 110.315 179.966 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 62.0 mt -59.6 133.96 24.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.54 1.15 . . . . 0.0 109.268 -179.967 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 62' ' ' GLY . . . . . 0.423 ' HA3' ' CG ' ' A' ' 101' ' ' ARG . . . 114.18 -34.08 5.12 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.512 1.133 . . . . 0.0 111.036 180.0 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . 0.429 ' CG ' HD13 ' A' ' 95' ' ' ILE . 75.5 m-20 -56.44 97.39 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.518 0.776 . . . . 0.0 109.29 179.945 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 64' ' ' GLN . . . . . 0.582 ' HB3' ' HB3' ' A' ' 99' ' ' ALA . 42.6 tt0 -83.32 134.0 34.94 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.529 1.143 . . . . 0.0 110.325 179.97 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 65' ' ' ILE . . . . . 0.778 HG23 HG23 ' A' ' 93' ' ' ILE . 11.7 mt -87.73 110.27 20.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.552 1.157 . . . . 0.0 109.255 -179.955 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . 0.746 HG22 ' O ' ' A' ' 94' ' ' SER . 17.9 m -99.72 -22.2 4.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.452 1.095 . . . . 0.0 109.291 179.974 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . 0.433 ' HG2' ' N ' ' A' ' 68' ' ' VAL . 30.8 tt0 -154.02 152.54 30.64 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.459 1.099 . . . . 0.0 110.293 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 68' ' ' VAL . . . . . 0.655 ' O ' HG23 ' A' ' 71' ' ' VAL . 94.3 t -151.44 117.54 0.67 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.535 1.147 . . . . 0.0 109.298 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 69' ' ' ASN . . . . . 0.9 ' ND2' HD23 ' A' ' 91' ' ' LEU . 1.2 t-20 56.41 20.86 5.04 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.544 1.153 . . . . 0.0 109.294 179.985 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 92.85 11.55 58.87 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.482 1.113 . . . . 0.0 111.047 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 71' ' ' VAL . . . . . 0.655 HG23 ' O ' ' A' ' 68' ' ' VAL . 54.6 t -87.37 154.34 3.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.491 0.759 . . . . 0.0 109.335 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -89.9 91.1 8.46 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.517 1.136 . . . . 0.0 109.269 -179.983 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 73' ' ' PHE . . . . . 0.793 ' CG ' HD12 ' A' ' 76' ' ' LEU . 4.6 m-85 -94.84 12.29 28.6 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.509 1.13 . . . . 0.0 111.012 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -73.65 -25.46 60.29 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.535 1.147 . . . . 0.0 110.007 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 55.7 m-80 -142.22 50.9 1.49 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.526 1.141 . . . . 0.0 109.32 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 76' ' ' LEU . . . . . 0.793 HD12 ' CG ' ' A' ' 73' ' ' PHE . 6.2 mt -94.49 -166.65 1.52 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.503 1.127 . . . . 0.0 109.309 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 21.0 t70 -132.06 170.48 14.89 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.476 1.11 . . . . 0.0 109.32 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 78' ' ' HIS . . . . . . . . . . . . . 65.2 t-80 -71.99 -6.83 44.95 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.525 1.141 . . . . 0.0 109.623 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 8.1 mmtt -108.12 -36.03 6.42 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.5 1.125 . . . . 0.0 109.287 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 80' ' ' GLU . . . . . 0.701 ' CB ' HD22 ' A' ' 76' ' ' LEU . 2.8 mm-40 -79.67 -38.75 32.9 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.528 1.142 . . . . 0.0 110.296 179.968 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 81' ' ' ALA . . . . . 0.436 ' HA ' HD13 ' A' ' 76' ' ' LEU . . . -70.31 -25.12 63.17 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.477 1.111 . . . . 0.0 109.332 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 82' ' ' VAL . . . . . 0.585 HG12 ' HD2' ' A' ' 86' ' ' LYS . 24.6 t -86.55 -40.09 13.9 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.466 1.104 . . . . 0.0 109.303 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 83' ' ' ASN . . . . . 0.448 ' HA ' ' CD ' ' A' ' 86' ' ' LYS . 12.1 t30 -64.91 -43.72 91.93 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.482 1.113 . . . . 0.0 109.256 -179.98 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 84' ' ' VAL . . . . . 0.596 HG11 ' HE1' ' A' ' 73' ' ' PHE . 77.0 t -70.86 -27.78 31.49 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.544 1.152 . . . . 0.0 109.334 179.958 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 16.9 mt -80.97 -37.13 29.85 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.415 1.072 . . . . 0.0 109.302 179.978 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 86' ' ' LYS . . . . . 0.585 ' HD2' HG12 ' A' ' 82' ' ' VAL . 0.0 OUTLIER -89.46 -1.36 58.02 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.514 1.134 . . . . 0.0 109.281 -179.993 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -59.39 -65.77 0.62 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.543 1.152 . . . . 0.0 110.0 -179.978 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 88' ' ' SER . . . . . 0.688 ' O ' HD11 ' A' ' 91' ' ' LEU . 0.3 OUTLIER -119.48 172.16 7.84 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.528 1.142 . . . . 0.0 110.005 179.969 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 16.9 mmt180 -81.62 -60.47 2.24 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.567 1.167 . . . . 0.0 110.306 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -82.86 115.21 21.64 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.469 1.106 . . . . 0.0 110.024 179.969 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 91' ' ' LEU . . . . . 0.9 HD23 ' ND2' ' A' ' 69' ' ' ASN . 1.2 mt -138.73 145.16 39.93 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.517 1.135 . . . . 0.0 109.316 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 92' ' ' THR . . . . . 0.598 ' OG1' ' CE2' ' A' ' 20' ' ' PHE . 31.9 m -101.5 100.98 11.49 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.512 1.133 . . . . 0.0 110.389 -179.972 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 93' ' ' ILE . . . . . 0.778 HG23 HG23 ' A' ' 65' ' ' ILE . 13.5 mt -89.51 135.01 27.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.462 1.101 . . . . 0.0 109.36 179.977 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 94' ' ' SER . . . . . 0.746 ' O ' HG22 ' A' ' 66' ' ' VAL . 0.4 OUTLIER -113.82 99.05 7.4 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.475 1.109 . . . . 0.0 110.019 -179.972 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 95' ' ' ILE . . . . . 0.895 HD11 ' CE ' ' A' ' 17' ' ' LYS . 1.3 pt -100.4 169.77 1.62 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.509 1.13 . . . . 0.0 109.283 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 96' ' ' VAL . . . . . 0.876 ' HB ' ' HB2' ' A' ' 99' ' ' ALA . 78.3 t -109.7 32.74 0.91 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.521 1.138 . . . . 0.0 109.303 179.98 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . 45.21 93.79 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.482 1.114 . . . . 0.0 109.311 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 98' ' ' ALA . . . . . 0.711 ' HB1' ' HG3' ' A' ' 101' ' ' ARG . . . 49.55 56.79 7.31 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.52 1.138 . . . . 0.0 109.286 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 99' ' ' ALA . . . . . 0.876 ' HB2' ' HB ' ' A' ' 96' ' ' VAL . . . -60.34 -69.85 0.2 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.519 1.137 . . . . 0.0 109.33 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . -101.52 57.91 0.66 Allowed Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.502 1.126 . . . . 0.0 110.987 179.972 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 101' ' ' ARG . . . . . 0.711 ' HG3' ' HB1' ' A' ' 98' ' ' ALA . 0.0 OUTLIER -70.0 -25.48 63.62 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.484 0.755 . . . . 0.0 110.269 -179.995 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -70.33 -21.53 62.9 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.488 1.118 . . . . 0.0 110.329 179.965 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 103' ' ' LEU . . . . . 0.604 HD11 ' HD3' ' A' ' 40' ' ' LYS . 60.5 mt -61.22 -21.36 63.79 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.48 1.112 . . . . 0.0 109.338 -179.983 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 104' ' ' PHE . . . . . . . . . . . . . 78.4 m-85 -119.43 59.28 0.86 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.461 1.1 . . . . 0.0 110.987 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 105' ' ' MET . . . . . . . . . . . . . 0.9 OUTLIER -95.61 82.84 3.67 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.451 1.094 . . . . 0.0 111.031 179.966 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 48.7 m -155.71 121.64 5.05 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.472 1.108 . . . . 0.0 110.417 -179.975 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 17.2 p-10 -69.3 169.66 11.8 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.561 1.163 . . . . 0.0 109.318 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 6.7 ptm180 -123.73 157.29 34.28 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.477 1.11 . . . . 0.0 110.257 -179.959 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 4.3 t -119.67 -58.19 1.92 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.481 1.113 . . . . 0.0 110.022 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 137.04 88.49 0.22 Allowed Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.446 1.091 . . . . 0.0 110.997 179.977 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 111' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 -48.32 0.18 Allowed 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.522 1.801 . . . . 0.0 111.04 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -100.87 129.34 46.72 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.513 1.133 . . . . 0.0 109.991 179.975 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -124.7 140.04 53.3 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.452 1.095 . . . . 0.0 110.019 179.975 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.972 0 O-C-N 124.468 1.105 . . . . 0.0 111.021 179.985 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.05 0 N-CA-C 110.984 -0.846 . . . . 0.0 110.984 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -175.23 161.51 2.83 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.541 0.789 . . . . 0.0 110.033 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -168.75 159.48 9.82 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.46 1.1 . . . . 0.0 110.049 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 70.51 -163.18 53.27 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.488 1.118 . . . . 0.0 111.0 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 48.71 80.07 0.07 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.476 0.751 . . . . 0.0 109.99 -179.984 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -111.8 -25.43 9.47 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.519 1.137 . . . . 0.0 110.05 179.956 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 76.36 126.25 0.24 Allowed Glycine 0 CA--C 1.53 0.969 0 O-C-N 124.523 1.14 . . . . 0.0 111.005 -179.966 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -104.96 147.29 34.23 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.459 0.74 . . . . 0.0 109.978 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.05 148.53 35.21 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.506 1.793 . . . . 0.0 111.009 -179.966 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -140.95 47.24 0.87 Allowed Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.51 1.131 . . . . 0.0 110.962 -179.942 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 21.8 t-20 -173.2 138.16 0.72 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.474 0.749 . . . . 0.0 109.301 179.976 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -176.05 146.66 0.7 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.537 1.148 . . . . 0.0 110.335 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 3.1 mt-10 -161.34 151.81 17.76 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.523 1.139 . . . . 0.0 110.317 -180.0 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 10.9 m120 -97.72 -56.88 2.38 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.495 1.122 . . . . 0.0 109.294 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 3.5 mppt? -80.52 170.97 15.64 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.494 1.121 . . . . 0.0 109.293 -179.982 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . 0.497 ' HG3' HG22 ' A' ' 96' ' ' VAL . 17.6 mt-10 48.5 90.91 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.529 1.143 . . . . 0.0 110.298 -179.966 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -115.01 143.7 44.77 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.432 1.082 . . . . 0.0 109.276 -179.99 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -90.21 123.39 33.98 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.499 1.125 . . . . 0.0 109.254 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 2.4 m -126.56 127.74 70.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.545 1.153 . . . . 0.0 109.3 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' PHE . . . . . 0.455 ' CD1' ' O ' ' A' ' 91' ' ' LEU . 0.1 OUTLIER -105.58 117.79 34.92 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.507 1.129 . . . . 0.0 111.011 -179.969 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' ILE . . . . . 0.761 HG23 ' HG ' ' A' ' 53' ' ' LEU . 11.8 mm -107.86 108.09 24.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.5 1.125 . . . . 0.0 109.275 -179.966 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 26.2 t -104.45 118.69 37.23 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.509 1.13 . . . . 0.0 110.008 179.966 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.641 HD12 ' HA2' ' A' ' 28' ' ' GLY . 3.3 mm? -80.04 78.48 6.67 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.528 1.142 . . . . 0.0 109.319 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 3.0 m -136.74 162.49 34.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.466 1.104 . . . . 0.0 109.283 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 63.92 -153.59 47.46 Favored Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.51 1.131 . . . . 0.0 110.982 179.946 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 10.2 m -82.95 51.0 1.83 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.498 0.764 . . . . 0.0 110.012 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 14.9 mmt-85 -138.22 138.26 38.34 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.56 1.163 . . . . 0.0 110.28 -179.979 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . 0.641 ' HA2' HD12 ' A' ' 23' ' ' LEU . . . -150.15 38.93 0.89 Allowed Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.495 1.122 . . . . 0.0 111.013 179.967 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER 62.2 109.78 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.513 0.772 . . . . 0.0 109.319 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -106.87 10.15 40.71 Favored Glycine 0 CA--C 1.529 0.939 0 O-C-N 124.524 1.14 . . . . 0.0 111.022 179.96 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 29.7 p -102.93 148.12 26.07 Favored 'General case' 0 C--N 1.325 -0.468 0 N-CA-C 108.289 -1.004 . . . . 0.0 108.289 -179.964 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -104.34 139.21 39.64 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.483 1.115 . . . . 0.0 110.02 -179.961 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 33' ' ' ILE . . . . . 0.719 HD11 ' CG2' ' A' ' 82' ' ' VAL . 13.9 pt -107.43 147.12 12.83 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.504 1.127 . . . . 0.0 109.288 -179.983 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 51.8 m -139.19 145.55 39.44 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.483 1.114 . . . . 0.0 109.998 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 72.4 m -88.95 137.89 31.91 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.537 1.148 . . . . 0.0 109.981 -179.961 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -77.97 178.35 52.45 Favored Glycine 0 CA--C 1.529 0.953 0 O-C-N 124.494 1.121 . . . . 0.0 111.048 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 -170.85 0.84 Allowed 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.463 1.77 . . . . 0.0 111.031 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 5.1 tt -73.9 -29.87 26.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.521 1.138 . . . . 0.0 109.272 -179.979 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 16.5 pt20 -77.83 -30.94 51.31 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.468 1.105 . . . . 0.0 110.26 -179.951 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . 0.496 ' HG2' HD11 ' A' ' 103' ' ' LEU . 0.5 OUTLIER -136.64 62.01 39.76 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.557 1.161 . . . . 0.0 109.255 -179.964 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 41' ' ' PRO . . . . . 0.461 ' HD3' ' N ' ' A' ' 40' ' ' LYS . 18.4 Cg_endo -74.98 146.47 32.79 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.509 1.794 . . . . 0.0 111.025 179.954 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 156.09 -165.9 32.89 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.516 1.135 . . . . 0.0 110.992 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 43' ' ' ILE . . . . . 0.528 HG22 HD12 ' A' ' 65' ' ' ILE . 23.5 mm -117.29 111.5 35.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.511 0.771 . . . . 0.0 109.327 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 44' ' ' PHE . . . . . 0.578 ' CD2' ' HB2' ' A' ' 64' ' ' GLN . 1.5 m-85 -124.15 140.05 53.34 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.511 1.132 . . . . 0.0 111.016 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 45' ' ' ILE . . . . . 0.447 HG21 ' CG2' ' A' ' 48' ' ' VAL . 12.3 mt -67.32 138.11 23.44 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.529 1.143 . . . . 0.0 109.316 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -100.58 -37.42 8.79 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.483 1.114 . . . . 0.0 109.96 -179.956 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 65.3 t-80 -150.91 164.11 37.09 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.501 1.126 . . . . 0.0 109.571 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 48' ' ' VAL . . . . . 0.447 ' CG2' HG21 ' A' ' 45' ' ' ILE . 84.0 t -145.38 118.3 2.44 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.486 1.116 . . . . 0.0 109.306 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 12.2 mttt -67.59 156.31 89.12 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.538 1.149 . . . . 0.0 109.342 179.955 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.01 127.41 10.66 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.463 1.77 . . . . 0.0 111.011 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 65.23 19.3 66.08 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.52 1.138 . . . . 0.0 110.974 -179.982 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 18.1 p -65.89 -159.28 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.485 0.756 . . . . 0.0 109.99 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . 0.761 ' HG ' HG23 ' A' ' 21' ' ' ILE . 12.2 tp -87.26 -24.31 24.41 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.564 1.165 . . . . 0.0 109.308 179.959 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . 0.604 ' O ' HG22 ' A' ' 57' ' ' VAL . 0.0 OUTLIER -95.15 -29.77 14.38 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.492 1.12 . . . . 0.0 109.98 -179.989 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -71.78 -17.35 62.18 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.508 1.13 . . . . 0.0 109.278 -179.977 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . 0.499 ' CG ' ' O ' ' A' ' 53' ' ' LEU . 1.9 pt-20 -80.06 -34.21 38.33 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.524 1.14 . . . . 0.0 110.322 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 57' ' ' VAL . . . . . 0.604 HG22 ' O ' ' A' ' 54' ' ' SER . 18.9 m -81.31 -22.11 10.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.497 1.123 . . . . 0.0 109.332 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 104.62 20.65 9.88 Favored Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.479 1.112 . . . . 0.0 111.066 -179.937 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . 0.511 HD23 ' OD2' ' A' ' 63' ' ' ASP . 20.7 mt -71.71 144.58 49.26 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.453 0.737 . . . . 0.0 109.315 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 36.1 mt-10 -140.22 173.16 11.79 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.523 1.139 . . . . 0.0 110.298 179.982 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 15.8 mt -64.01 125.84 21.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.499 1.125 . . . . 0.0 109.301 -179.946 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 62' ' ' GLY . . . . . 0.44 ' O ' ' N ' ' A' ' 64' ' ' GLN . . . 120.03 -38.58 2.72 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.489 1.118 . . . . 0.0 110.988 179.974 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . 0.511 ' OD2' HD23 ' A' ' 59' ' ' LEU . 73.2 m-20 -43.99 96.94 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.47 0.747 . . . . 0.0 109.331 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 64' ' ' GLN . . . . . 0.653 ' HB3' ' HB3' ' A' ' 99' ' ' ALA . 49.0 tt0 -83.25 120.36 25.72 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.489 1.118 . . . . 0.0 110.289 -179.968 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 65' ' ' ILE . . . . . 0.813 HG23 HG23 ' A' ' 93' ' ' ILE . 38.9 mt -74.51 107.95 5.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.544 1.152 . . . . 0.0 109.301 179.974 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . 0.754 HG22 ' O ' ' A' ' 94' ' ' SER . 15.7 m -96.46 -24.64 4.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.493 1.121 . . . . 0.0 109.296 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . 0.419 ' HA ' ' O ' ' A' ' 71' ' ' VAL . 30.4 tt0 -151.47 154.96 37.59 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.538 1.149 . . . . 0.0 110.243 -179.986 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 68' ' ' VAL . . . . . 0.695 ' O ' HG23 ' A' ' 71' ' ' VAL . 95.7 t -152.28 124.29 1.08 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.478 1.111 . . . . 0.0 109.308 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 69' ' ' ASN . . . . . 0.863 ' ND2' HD23 ' A' ' 91' ' ' LEU . 1.1 t-20 45.78 34.8 1.95 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.521 1.138 . . . . 0.0 109.332 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 75.23 34.61 50.98 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.529 1.143 . . . . 0.0 110.986 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 71' ' ' VAL . . . . . 0.695 HG23 ' O ' ' A' ' 68' ' ' VAL . 58.9 t -111.0 147.45 15.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.52 0.777 . . . . 0.0 109.292 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 1.7 t0 -81.88 86.99 6.41 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.539 1.149 . . . . 0.0 109.307 179.976 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 73' ' ' PHE . . . . . 0.821 ' CD1' HD12 ' A' ' 76' ' ' LEU . 3.8 m-85 -92.3 18.88 7.66 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.471 1.107 . . . . 0.0 111.006 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -73.78 -42.02 61.6 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.511 1.132 . . . . 0.0 109.99 -179.971 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -129.53 50.83 2.12 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.535 1.147 . . . . 0.0 109.258 -179.99 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 76' ' ' LEU . . . . . 0.821 HD12 ' CD1' ' A' ' 73' ' ' PHE . 5.9 mt -89.56 -166.3 1.56 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.522 1.139 . . . . 0.0 109.302 179.967 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 33.9 t70 -131.47 169.58 15.87 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.528 1.143 . . . . 0.0 109.278 -179.984 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 78' ' ' HIS . . . . . . . . . . . . . 58.8 t-80 -70.98 -7.02 43.2 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.464 1.102 . . . . 0.0 109.625 179.966 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -108.89 -37.53 5.83 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.498 1.124 . . . . 0.0 109.291 179.97 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 80' ' ' GLU . . . . . 0.712 ' CB ' HD22 ' A' ' 76' ' ' LEU . 2.3 mt-10 -77.1 -37.9 53.34 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.529 1.143 . . . . 0.0 110.291 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 81' ' ' ALA . . . . . 0.497 ' HA ' HD13 ' A' ' 76' ' ' LEU . . . -69.9 -27.7 65.01 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.496 1.123 . . . . 0.0 109.278 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 82' ' ' VAL . . . . . 0.856 HG12 ' CE ' ' A' ' 86' ' ' LYS . 45.4 t -88.1 -36.83 9.83 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.494 1.121 . . . . 0.0 109.301 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 41.2 t30 -64.71 -40.47 95.41 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.532 1.145 . . . . 0.0 109.334 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 84' ' ' VAL . . . . . 0.534 HG11 ' HE1' ' A' ' 73' ' ' PHE . 77.9 t -74.47 -32.83 31.33 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.497 1.123 . . . . 0.0 109.312 179.968 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 85' ' ' LEU . . . . . 0.524 ' CD2' HG11 ' A' ' 68' ' ' VAL . 18.7 mt -75.29 -38.03 60.56 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.44 1.087 . . . . 0.0 109.282 -179.977 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 86' ' ' LYS . . . . . 0.856 ' CE ' HG12 ' A' ' 82' ' ' VAL . 1.8 ptpt -86.06 -2.61 58.48 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.479 1.112 . . . . 0.0 109.301 -179.977 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 38.4 t -53.75 -68.48 0.17 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.478 1.111 . . . . 0.0 110.007 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -117.04 -173.51 2.41 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.537 1.148 . . . . 0.0 110.031 179.986 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 13.1 mmt85 -90.84 -53.38 4.42 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.491 1.119 . . . . 0.0 110.299 -179.965 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -88.84 113.56 24.51 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.471 1.107 . . . . 0.0 109.994 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 91' ' ' LEU . . . . . 0.863 HD23 ' ND2' ' A' ' 69' ' ' ASN . 1.0 OUTLIER -134.02 147.54 50.97 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.527 1.142 . . . . 0.0 109.307 179.996 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 15.9 m -106.96 101.03 10.49 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.499 1.125 . . . . 0.0 110.358 -179.971 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 93' ' ' ILE . . . . . 0.813 HG23 HG23 ' A' ' 65' ' ' ILE . 14.0 mt -89.51 135.13 26.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.459 1.1 . . . . 0.0 109.333 179.963 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 94' ' ' SER . . . . . 0.754 ' O ' HG22 ' A' ' 66' ' ' VAL . 0.3 OUTLIER -112.95 101.23 9.29 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.525 1.141 . . . . 0.0 110.035 179.988 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 95' ' ' ILE . . . . . 0.531 HD12 ' H ' ' A' ' 97' ' ' ALA . 1.1 pt -100.5 169.32 1.7 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.527 0 O-C-N 124.491 1.12 . . . . 0.0 109.293 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 96' ' ' VAL . . . . . 0.854 ' HB ' ' HB2' ' A' ' 99' ' ' ALA . 70.5 t -114.05 34.88 0.96 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.505 1.128 . . . . 0.0 109.319 179.974 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 97' ' ' ALA . . . . . 0.531 ' H ' HD12 ' A' ' 95' ' ' ILE . . . 46.76 94.84 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.552 1.157 . . . . 0.0 109.274 -179.98 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . 43.39 59.67 2.9 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.485 1.115 . . . . 0.0 109.279 179.944 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 99' ' ' ALA . . . . . 0.854 ' HB2' ' HB ' ' A' ' 96' ' ' VAL . . . -61.41 -65.47 0.69 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.523 1.139 . . . . 0.0 109.32 179.961 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . -108.93 59.82 0.34 Allowed Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.517 1.136 . . . . 0.0 111.021 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -74.76 -17.36 60.65 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.45 0.735 . . . . 0.0 110.303 179.986 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 9.4 pt-20 -68.62 -34.46 75.8 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.477 1.111 . . . . 0.0 110.313 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 103' ' ' LEU . . . . . 0.496 HD11 ' HG2' ' A' ' 40' ' ' LYS . 81.3 mt -45.63 -38.27 6.48 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.488 1.118 . . . . 0.0 109.281 -179.988 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 104' ' ' PHE . . . . . . . . . . . . . 16.7 m-85 -106.66 52.23 0.72 Allowed 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.525 1.141 . . . . 0.0 110.96 -179.968 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 105' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -59.77 131.99 52.6 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.488 1.117 . . . . 0.0 110.997 179.977 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 2.5 t -52.64 149.77 5.72 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.516 1.135 . . . . 0.0 110.409 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER 167.28 154.52 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.512 1.133 . . . . 0.0 109.302 -179.986 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 12.0 ttt-85 -51.36 127.79 20.7 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.506 1.129 . . . . 0.0 110.327 179.974 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -154.26 -169.28 3.19 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.493 1.12 . . . . 0.0 109.974 -179.974 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 56.78 78.98 0.1 Allowed Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.476 1.11 . . . . 0.0 110.994 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 111' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 86.46 1.42 Allowed 'Trans proline' 0 C--N 1.361 1.187 0 O-C-N 124.467 1.772 . . . . 0.0 110.999 -179.978 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 31.1 t -92.46 -63.65 1.2 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.549 1.156 . . . . 0.0 109.998 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -110.05 156.9 19.91 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.461 1.101 . . . . 0.0 110.048 179.98 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.018 0 O-C-N 124.553 1.158 . . . . 0.0 110.987 -179.99 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.985 0 N-CA-C 111.014 -0.835 . . . . 0.0 111.014 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 33.8 p -152.49 124.38 7.96 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.474 0.749 . . . . 0.0 110.002 -179.982 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 13.2 t -179.92 149.33 0.34 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.495 1.122 . . . . 0.0 109.962 -179.975 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -139.38 93.5 0.2 Allowed Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.474 1.108 . . . . 0.0 110.975 179.961 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -178.71 112.48 0.06 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.498 0.763 . . . . 0.0 109.991 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 9.6 t -117.27 27.85 8.84 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.479 1.112 . . . . 0.0 110.035 179.977 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 55.21 -174.16 0.89 Allowed Glycine 0 CA--C 1.529 0.96 0 O-C-N 124.513 1.133 . . . . 0.0 111.053 -179.954 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 88.7 p -136.26 106.08 9.41 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.517 0.775 . . . . 0.0 110.019 179.976 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.04 156.11 42.77 Favored 'Trans proline' 0 C--N 1.36 1.183 0 O-C-N 124.424 1.749 . . . . 0.0 110.978 -179.96 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 114.06 131.71 5.31 Favored Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.503 1.127 . . . . 0.0 111.0 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 2.4 t30 177.21 151.82 0.2 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.573 0.808 . . . . 0.0 109.263 -179.961 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 28.3 mtt180 -152.34 130.93 12.26 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.41 1.069 . . . . 0.0 110.28 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 2.0 tp10 -132.79 172.68 12.25 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.479 1.112 . . . . 0.0 110.324 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 2.9 m-20 -179.66 -55.92 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.491 1.119 . . . . 0.0 109.275 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -94.49 170.78 9.23 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.47 1.106 . . . . 0.0 109.315 179.97 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 22.3 mt-10 43.21 89.66 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.551 1.157 . . . . 0.0 110.338 -179.941 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . 0.598 ' HE3' HD11 ' A' ' 95' ' ' ILE . 0.4 OUTLIER -113.58 140.89 47.8 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.523 1.139 . . . . 0.0 109.31 -179.978 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . 0.464 ' HD3' ' CG2' ' A' ' 92' ' ' THR . 6.0 ttmm -91.49 123.15 34.69 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.486 1.116 . . . . 0.0 109.276 -179.97 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . 0.46 HG23 ' HB ' ' A' ' 93' ' ' ILE . 0.3 OUTLIER -121.64 117.02 51.22 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.45 1.094 . . . . 0.0 109.317 179.962 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -94.26 115.27 27.5 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.523 1.14 . . . . 0.0 111.024 -179.973 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' ILE . . . . . 0.518 HG23 ' HG ' ' A' ' 53' ' ' LEU . 18.2 mm -109.03 110.5 32.33 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 O-C-N 124.491 1.12 . . . . 0.0 109.343 179.984 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . 0.469 ' OG ' HG22 ' A' ' 24' ' ' VAL . 10.7 p -111.92 121.1 44.11 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.448 1.093 . . . . 0.0 109.965 -179.963 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.433 HD11 ' H ' ' A' ' 29' ' ' LEU . 2.6 mm? -83.22 54.67 2.86 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.549 1.156 . . . . 0.0 109.302 179.979 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . 0.469 HG22 ' OG ' ' A' ' 22' ' ' SER . 14.8 m -128.56 167.03 24.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.458 1.099 . . . . 0.0 109.326 -179.963 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 63.52 52.67 44.49 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.487 1.117 . . . . 0.0 111.011 179.973 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 78.5 p 43.7 67.15 0.7 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.506 0.768 . . . . 0.0 110.018 -179.954 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 5.1 mtt180 -145.29 127.3 15.53 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.469 1.106 . . . . 0.0 110.31 -179.973 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -126.7 130.92 7.14 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.509 1.131 . . . . 0.0 111.016 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . 0.541 HD11 ' SG ' ' A' ' 31' ' ' CYS . 2.6 tp -41.41 146.22 0.22 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.51 0.771 . . . . 0.0 109.32 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -138.24 28.44 2.69 Favored Glycine 0 CA--C 1.529 0.933 0 O-C-N 124.53 1.144 . . . . 0.0 111.015 179.986 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 31' ' ' CYS . . . . . 0.541 ' SG ' HD11 ' A' ' 29' ' ' LEU . 11.2 p -121.48 140.45 52.17 Favored 'General case' 0 C--N 1.325 -0.458 0 N-CA-C 108.341 -0.985 . . . . 0.0 108.341 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -94.97 141.87 28.14 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.533 1.146 . . . . 0.0 109.979 -179.972 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 33' ' ' ILE . . . . . 0.536 HD11 HG23 ' A' ' 82' ' ' VAL . 8.2 pt -117.4 145.57 23.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.512 1.133 . . . . 0.0 109.308 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -130.88 169.57 15.59 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.51 1.131 . . . . 0.0 110.002 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 11.4 p -106.56 125.94 51.63 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.502 1.126 . . . . 0.0 110.001 179.982 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -70.79 172.13 43.68 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.492 1.12 . . . . 0.0 111.002 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.06 -172.43 1.26 Allowed 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.488 1.783 . . . . 0.0 111.008 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 0.7 OUTLIER -72.45 -30.02 33.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.456 1.098 . . . . 0.0 109.33 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 13.3 pt20 -77.83 -30.61 51.16 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.549 1.156 . . . . 0.0 110.337 179.95 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . 0.468 ' N ' ' HD3' ' A' ' 41' ' ' PRO . 5.3 tttt -136.62 61.82 38.91 Favored Pre-proline 0 C--N 1.324 -0.516 0 O-C-N 124.481 1.113 . . . . 0.0 109.291 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 41' ' ' PRO . . . . . 0.468 ' HD3' ' N ' ' A' ' 40' ' ' LYS . 18.0 Cg_endo -75.04 145.83 31.77 Favored 'Trans proline' 0 C--N 1.361 1.198 0 O-C-N 124.452 1.764 . . . . 0.0 110.949 -179.959 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 154.78 -158.32 28.21 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.511 1.132 . . . . 0.0 111.005 -179.987 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 43' ' ' ILE . . . . . 0.424 HG22 HD12 ' A' ' 65' ' ' ILE . 12.2 mm -123.44 108.47 21.1 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 O-C-N 124.46 0.741 . . . . 0.0 109.276 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 44' ' ' PHE . . . . . 0.577 ' CD2' HD12 ' A' ' 103' ' ' LEU . 3.2 m-85 -118.36 139.33 51.53 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.534 1.146 . . . . 0.0 111.003 179.977 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 45' ' ' ILE . . . . . 0.52 ' O ' ' CZ ' ' A' ' 104' ' ' PHE . 19.9 mt -67.51 141.49 17.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.467 1.104 . . . . 0.0 109.3 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . 0.471 ' HA ' ' CE2' ' A' ' 104' ' ' PHE . 0.7 OUTLIER -105.49 -37.19 6.89 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.544 1.153 . . . . 0.0 109.999 179.998 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 47' ' ' HIS . . . . . 0.417 ' ND1' ' N ' ' A' ' 48' ' ' VAL . 56.4 t-80 -152.87 165.38 35.62 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.478 1.111 . . . . 0.0 109.583 179.96 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 48' ' ' VAL . . . . . 0.417 ' N ' ' ND1' ' A' ' 47' ' ' HIS . 80.8 t -145.79 125.56 6.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.49 1.118 . . . . 0.0 109.324 179.993 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 25.2 mttt -71.82 156.01 91.54 Favored Pre-proline 0 C--N 1.324 -0.508 0 O-C-N 124.546 1.154 . . . . 0.0 109.294 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 128.6 11.61 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.533 1.807 . . . . 0.0 111.042 179.955 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 66.98 13.37 61.65 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.505 1.128 . . . . 0.0 111.052 -179.927 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 76.8 p -58.26 -164.39 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.523 0.778 . . . . 0.0 109.977 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . 0.518 ' HG ' HG23 ' A' ' 21' ' ' ILE . 48.9 tp -89.66 -17.52 28.22 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.471 1.107 . . . . 0.0 109.307 -179.978 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . 0.908 ' O ' HG22 ' A' ' 57' ' ' VAL . 0.0 OUTLIER -95.02 -38.77 10.49 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.465 1.103 . . . . 0.0 109.991 179.989 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -62.75 -30.31 71.34 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.531 1.144 . . . . 0.0 109.325 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . 0.513 ' HG3' HG13 ' A' ' 57' ' ' VAL . 2.4 pt-20 -65.62 -33.27 75.5 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.546 1.154 . . . . 0.0 110.347 179.976 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 57' ' ' VAL . . . . . 0.908 HG22 ' O ' ' A' ' 54' ' ' SER . 8.0 m -84.38 -21.03 8.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.517 1.136 . . . . 0.0 109.28 179.971 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 105.37 20.55 9.53 Favored Glycine 0 CA--C 1.529 0.964 0 O-C-N 124.554 1.159 . . . . 0.0 111.014 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . 0.743 HD23 ' OD2' ' A' ' 63' ' ' ASP . 11.2 mt -71.89 139.17 48.67 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.503 0.766 . . . . 0.0 109.297 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 51.1 mt-10 -145.23 172.99 12.33 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.494 1.121 . . . . 0.0 110.298 -179.974 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 30.2 mt -61.75 129.59 24.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.472 1.108 . . . . 0.0 109.282 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 113.54 -29.04 8.14 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.478 1.111 . . . . 0.0 110.977 179.957 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . 0.743 ' OD2' HD23 ' A' ' 59' ' ' LEU . 9.0 m-20 -60.25 97.36 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.486 0.756 . . . . 0.0 109.274 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 64' ' ' GLN . . . . . 0.566 ' HB2' ' CD2' ' A' ' 44' ' ' PHE . 46.5 tt0 -83.19 131.3 35.12 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.446 1.091 . . . . 0.0 110.304 179.967 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 65' ' ' ILE . . . . . 0.58 ' CG2' ' CG2' ' A' ' 68' ' ' VAL . 59.8 mt -80.76 109.43 15.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.503 1.127 . . . . 0.0 109.315 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . 0.918 HG22 ' O ' ' A' ' 94' ' ' SER . 12.7 m -98.15 -23.71 4.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.52 1.138 . . . . 0.0 109.294 -179.963 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . 0.42 ' HA ' ' O ' ' A' ' 71' ' ' VAL . 32.3 tt0 -153.52 153.45 32.45 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.465 1.103 . . . . 0.0 110.262 -179.963 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 68' ' ' VAL . . . . . 0.58 ' CG2' ' CG2' ' A' ' 65' ' ' ILE . 67.3 t -151.88 117.48 0.63 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.519 1.137 . . . . 0.0 109.314 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 69' ' ' ASN . . . . . 0.785 HD22 HD23 ' A' ' 91' ' ' LEU . 2.0 t-20 57.15 18.29 4.04 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.525 1.141 . . . . 0.0 109.335 -179.955 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 95.81 5.12 60.05 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.497 1.123 . . . . 0.0 110.962 179.977 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 71' ' ' VAL . . . . . 0.423 HG23 ' O ' ' A' ' 68' ' ' VAL . 59.0 t -83.46 143.25 12.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.469 0.746 . . . . 0.0 109.348 179.952 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 2.2 t70 -80.43 87.9 5.63 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.512 1.133 . . . . 0.0 109.341 179.986 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 73' ' ' PHE . . . . . 0.728 ' CG ' HD12 ' A' ' 76' ' ' LEU . 2.9 m-85 -86.14 41.21 0.91 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.525 1.14 . . . . 0.0 111.021 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 3.3 t -82.84 -72.15 0.46 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.502 1.126 . . . . 0.0 109.957 -179.981 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 3.3 m-80 -103.95 47.11 0.89 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.469 1.106 . . . . 0.0 109.292 -179.976 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 76' ' ' LEU . . . . . 0.728 HD12 ' CG ' ' A' ' 73' ' ' PHE . 6.7 mt -80.44 -167.21 1.26 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.463 1.102 . . . . 0.0 109.299 179.968 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 31.9 t70 -134.68 170.87 15.17 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.494 1.121 . . . . 0.0 109.34 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 78' ' ' HIS . . . . . . . . . . . . . 60.2 t-80 -72.31 -5.54 36.88 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.507 1.129 . . . . 0.0 109.621 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 5.5 mttt -109.41 -36.39 6.01 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.489 1.118 . . . . 0.0 109.298 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 80' ' ' GLU . . . . . 0.701 ' CB ' HD22 ' A' ' 76' ' ' LEU . 1.8 mm-40 -77.54 -36.83 51.92 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.482 1.114 . . . . 0.0 110.271 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -73.07 -29.71 63.15 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.474 1.109 . . . . 0.0 109.277 -179.986 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 82' ' ' VAL . . . . . 0.697 HG12 ' HE3' ' A' ' 86' ' ' LYS . 3.0 t -81.38 -46.75 20.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.446 1.091 . . . . 0.0 109.324 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 18.3 t30 -57.85 -41.18 81.83 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.494 1.121 . . . . 0.0 109.303 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 84' ' ' VAL . . . . . 0.6 HG23 ' O ' ' A' ' 80' ' ' GLU . 69.9 t -72.99 -31.0 33.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.49 1.119 . . . . 0.0 109.267 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 85' ' ' LEU . . . . . 0.402 ' CD2' HG11 ' A' ' 68' ' ' VAL . 21.6 mt -77.17 -31.18 55.3 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.525 1.14 . . . . 0.0 109.266 -179.975 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 86' ' ' LYS . . . . . 0.697 ' HE3' HG12 ' A' ' 82' ' ' VAL . 8.3 ptpt -95.51 -2.59 48.28 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.487 1.117 . . . . 0.0 109.331 -179.976 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -53.56 -62.52 1.6 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.449 1.093 . . . . 0.0 109.984 -179.982 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 88' ' ' SER . . . . . 0.486 ' O ' HD11 ' A' ' 91' ' ' LEU . 2.3 t -122.8 -178.67 4.0 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.536 1.147 . . . . 0.0 110.021 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 9.5 mmt180 -85.47 -56.33 3.57 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.547 1.155 . . . . 0.0 110.322 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -85.94 119.01 25.78 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.48 1.113 . . . . 0.0 109.984 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 91' ' ' LEU . . . . . 0.785 HD23 HD22 ' A' ' 69' ' ' ASN . 1.0 OUTLIER -136.63 148.95 47.72 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.533 1.145 . . . . 0.0 109.325 179.997 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 92' ' ' THR . . . . . 0.464 ' CG2' ' HD3' ' A' ' 18' ' ' LYS . 9.7 m -109.87 100.46 9.43 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.492 1.12 . . . . 0.0 110.394 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 93' ' ' ILE . . . . . 0.477 HD12 ' CG1' ' A' ' 21' ' ' ILE . 12.0 mt -89.19 137.9 20.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.467 1.104 . . . . 0.0 109.276 -179.981 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 94' ' ' SER . . . . . 0.918 ' O ' HG22 ' A' ' 66' ' ' VAL . 0.3 OUTLIER -119.75 101.06 7.63 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.497 1.123 . . . . 0.0 109.991 -179.998 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 95' ' ' ILE . . . . . 0.598 HD11 ' HE3' ' A' ' 17' ' ' LYS . 1.1 pt -100.27 169.82 1.6 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.5 1.125 . . . . 0.0 109.296 -179.979 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 96' ' ' VAL . . . . . 0.813 ' HB ' ' HB2' ' A' ' 99' ' ' ALA . 73.4 t -109.11 31.81 0.99 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.481 1.113 . . . . 0.0 109.36 179.974 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 97' ' ' ALA . . . . . 0.53 ' H ' HD12 ' A' ' 95' ' ' ILE . . . 44.97 94.26 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.493 1.121 . . . . 0.0 109.308 -179.978 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 98' ' ' ALA . . . . . 0.698 ' HB1' ' HG3' ' A' ' 101' ' ' ARG . . . 50.94 56.53 7.86 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.506 1.129 . . . . 0.0 109.324 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 99' ' ' ALA . . . . . 0.813 ' HB2' ' HB ' ' A' ' 96' ' ' VAL . . . -59.99 -75.46 0.06 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.467 1.104 . . . . 0.0 109.34 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . -96.39 55.93 1.46 Allowed Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.509 1.131 . . . . 0.0 111.023 179.944 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 101' ' ' ARG . . . . . 0.698 ' HG3' ' HB1' ' A' ' 98' ' ' ALA . 0.0 OUTLIER -65.7 -19.97 66.11 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.509 0.77 . . . . 0.0 110.31 179.997 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 1.8 pt-20 -75.9 -6.44 50.88 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.496 1.123 . . . . 0.0 110.307 179.959 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 103' ' ' LEU . . . . . 0.577 HD12 ' CD2' ' A' ' 44' ' ' PHE . 76.8 mt -82.44 -11.86 58.24 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.433 1.083 . . . . 0.0 109.304 -179.972 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 104' ' ' PHE . . . . . 0.52 ' CZ ' ' O ' ' A' ' 45' ' ' ILE . 21.1 m-85 -133.9 59.05 1.75 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.53 1.144 . . . . 0.0 110.972 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 105' ' ' MET . . . . . . . . . . . . . 5.8 mtt -124.81 84.4 2.28 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.493 1.121 . . . . 0.0 111.024 179.974 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 1.3 m -136.76 121.7 18.85 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.53 1.144 . . . . 0.0 110.365 -179.986 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -111.82 111.23 22.03 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.514 1.134 . . . . 0.0 109.329 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -152.44 144.05 23.49 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.506 1.129 . . . . 0.0 110.284 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 51.9 p -97.81 169.43 9.67 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.466 1.104 . . . . 0.0 109.985 -179.986 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . -172.7 76.98 0.09 OUTLIER Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.465 1.103 . . . . 0.0 111.022 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 111' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 156.39 43.03 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.527 1.804 . . . . 0.0 110.995 -179.977 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 44.6 m -162.34 153.28 17.54 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.468 1.105 . . . . 0.0 110.0 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -76.97 160.75 28.91 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.463 1.102 . . . . 0.0 109.988 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.986 0 O-C-N 124.543 1.152 . . . . 0.0 110.993 -179.998 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.966 0 N-CA-C 111.006 -0.838 . . . . 0.0 111.006 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 18.5 m -168.11 108.12 0.54 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.481 0.753 . . . . 0.0 109.997 -179.968 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -155.65 157.57 36.91 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.495 1.122 . . . . 0.0 110.008 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 115.92 125.02 3.78 Favored Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.567 1.167 . . . . 0.0 110.98 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 94.5 p -143.05 110.41 5.74 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.509 0.77 . . . . 0.0 109.999 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -102.57 -24.3 13.8 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.571 1.169 . . . . 0.0 110.005 179.969 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 109.25 175.31 21.31 Favored Glycine 0 CA--C 1.529 0.96 0 O-C-N 124.486 1.116 . . . . 0.0 110.969 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -118.01 106.07 46.12 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.455 0.738 . . . . 0.0 109.986 -179.958 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 117.37 4.89 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.47 1.774 . . . . 0.0 111.001 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 92.37 -165.38 28.77 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.509 1.13 . . . . 0.0 111.036 -179.983 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -152.91 -55.37 0.12 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.512 0.772 . . . . 0.0 109.26 179.972 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 1.5 mtm180 -150.36 132.47 15.32 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.446 1.092 . . . . 0.0 110.354 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 65.0 mt-10 -147.71 150.15 33.77 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.505 1.128 . . . . 0.0 110.3 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER 173.6 -59.49 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.483 1.114 . . . . 0.0 109.296 -179.978 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -84.4 170.49 13.52 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.485 1.116 . . . . 0.0 109.255 -179.971 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . 0.475 ' HG3' HG22 ' A' ' 96' ' ' VAL . 20.1 mt-10 40.47 88.63 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.511 1.132 . . . . 0.0 110.264 179.962 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -111.21 144.12 40.88 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.482 1.113 . . . . 0.0 109.291 179.968 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . 0.636 ' HD3' HG23 ' A' ' 92' ' ' THR . 1.7 ttmm -97.85 119.52 36.6 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.498 1.124 . . . . 0.0 109.299 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . 0.482 HG23 ' HB ' ' A' ' 93' ' ' ILE . 2.0 m -120.0 120.44 63.12 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.479 1.112 . . . . 0.0 109.319 179.966 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' PHE . . . . . 0.426 ' CD1' ' O ' ' A' ' 91' ' ' LEU . 0.1 OUTLIER -97.83 114.53 26.6 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.53 1.143 . . . . 0.0 110.978 -179.995 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' ILE . . . . . 0.568 HG13 HD12 ' A' ' 93' ' ' ILE . 5.2 mm -102.95 125.74 57.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.534 1.146 . . . . 0.0 109.301 179.968 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 71.6 m -118.01 128.78 55.11 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.44 1.088 . . . . 0.0 110.027 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -95.97 58.72 1.92 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.489 1.118 . . . . 0.0 109.273 -179.974 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 2.7 m -119.49 167.42 12.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.481 1.113 . . . . 0.0 109.299 -179.987 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 46.08 -143.96 4.0 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.527 1.142 . . . . 0.0 111.031 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 32.6 p -71.43 175.27 5.62 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.509 0.77 . . . . 0.0 110.003 179.982 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 55.0 mtt180 62.75 149.02 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.492 1.12 . . . . 0.0 110.34 -179.947 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -154.88 40.43 0.62 Allowed Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.518 1.137 . . . . 0.0 111.036 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . 0.419 HD21 ' SG ' ' A' ' 31' ' ' CYS . 0.5 OUTLIER 73.48 152.32 0.13 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.498 0.764 . . . . 0.0 109.284 -179.963 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -154.41 25.24 0.67 Allowed Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.482 1.114 . . . . 0.0 110.996 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 31' ' ' CYS . . . . . 0.5 ' HB3' HG22 ' A' ' 48' ' ' VAL . 25.8 p -108.3 155.71 20.19 Favored 'General case' 0 C--N 1.325 -0.475 0 N-CA-C 108.293 -1.003 . . . . 0.0 108.293 -179.977 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -114.1 142.32 46.35 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.504 1.128 . . . . 0.0 109.96 -179.954 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 33' ' ' ILE . . . . . 0.467 HD11 HG23 ' A' ' 82' ' ' VAL . 10.2 pt -110.27 145.24 17.0 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.51 1.131 . . . . 0.0 109.329 179.956 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . 0.4 ' HG ' ' HZ ' ' A' ' 104' ' ' PHE . 24.1 p -125.72 163.38 22.95 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.53 1.144 . . . . 0.0 110.03 179.978 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 61.8 p -94.74 142.99 26.82 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.478 1.111 . . . . 0.0 110.018 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -96.98 163.56 22.32 Favored Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.525 1.14 . . . . 0.0 110.995 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.97 -164.31 0.23 Allowed 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.429 1.752 . . . . 0.0 110.954 -179.983 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 38' ' ' ILE . . . . . 0.418 HG22 ' H ' ' A' ' 38' ' ' ILE . 0.8 OUTLIER -79.11 -31.1 14.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.526 1.141 . . . . 0.0 109.313 179.983 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 1.7 pt20 -79.75 -25.95 40.87 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.506 1.129 . . . . 0.0 110.319 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . 0.857 ' HG2' HD11 ' A' ' 103' ' ' LEU . 0.0 OUTLIER -136.3 61.47 39.02 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.468 1.105 . . . . 0.0 109.297 -179.978 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 41' ' ' PRO . . . . . 0.47 ' HD3' ' N ' ' A' ' 40' ' ' LYS . 18.2 Cg_endo -75.03 147.06 33.3 Favored 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.44 1.758 . . . . 0.0 110.956 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 140.56 -162.07 26.58 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.492 1.12 . . . . 0.0 111.023 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 43' ' ' ILE . . . . . 0.417 ' O ' ' HA ' ' A' ' 64' ' ' GLN . 14.2 mm -117.76 130.68 72.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.525 0.779 . . . . 0.0 109.29 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 44' ' ' PHE . . . . . 0.579 ' CD2' ' HB2' ' A' ' 64' ' ' GLN . 1.3 m-85 -136.36 141.12 43.69 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.479 1.112 . . . . 0.0 111.003 -179.986 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 18.3 mt -68.84 146.29 12.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.474 1.109 . . . . 0.0 109.289 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 1.2 p -111.7 -36.88 5.34 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.52 1.138 . . . . 0.0 109.999 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 63.6 t-80 -151.86 159.3 43.9 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.485 1.116 . . . . 0.0 109.58 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 48' ' ' VAL . . . . . 0.5 HG22 ' HB3' ' A' ' 31' ' ' CYS . 26.4 t -140.63 125.33 18.61 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 O-C-N 124.497 1.123 . . . . 0.0 109.285 -179.976 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -75.49 153.5 85.71 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.504 1.127 . . . . 0.0 109.322 179.964 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.95 115.61 4.34 Favored 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.513 1.796 . . . . 0.0 111.026 179.963 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 84.17 28.03 35.14 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.449 1.093 . . . . 0.0 110.997 179.977 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 52' ' ' SER . . . . . 0.491 ' H ' ' HB3' ' A' ' 55' ' ' ALA . 94.6 p -90.53 169.02 11.39 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.497 0.763 . . . . 0.0 110.014 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . 0.93 HD13 ' CD ' ' A' ' 56' ' ' GLU . 0.1 OUTLIER -58.21 -18.75 28.33 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.468 1.105 . . . . 0.0 109.285 -179.957 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . 0.577 ' O ' HG22 ' A' ' 57' ' ' VAL . 0.3 OUTLIER -93.25 -34.37 13.59 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.496 1.122 . . . . 0.0 109.975 -179.991 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . 0.491 ' HB3' ' H ' ' A' ' 52' ' ' SER . . . -71.97 -41.55 67.57 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.496 1.122 . . . . 0.0 109.286 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . 0.93 ' CD ' HD13 ' A' ' 53' ' ' LEU . 8.2 pt-20 -54.41 -38.07 65.8 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.573 1.17 . . . . 0.0 110.286 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 57' ' ' VAL . . . . . 0.577 HG22 ' O ' ' A' ' 54' ' ' SER . 32.6 m -80.7 -26.38 11.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.464 1.102 . . . . 0.0 109.297 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 98.17 39.99 3.62 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.526 1.141 . . . . 0.0 111.023 -179.977 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . 0.532 ' HG ' HG23 ' A' ' 57' ' ' VAL . 20.8 mt -82.43 145.77 29.67 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.5 0.764 . . . . 0.0 109.32 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 35.9 mt-10 -136.16 162.27 33.41 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.544 1.152 . . . . 0.0 110.288 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 60.2 mt -57.09 129.59 19.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.536 1.147 . . . . 0.0 109.308 180.0 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 117.54 -34.31 4.58 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.477 1.11 . . . . 0.0 111.002 -179.994 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . 0.442 ' CG ' HD13 ' A' ' 95' ' ' ILE . 82.2 m-20 -48.93 98.02 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.546 0.792 . . . . 0.0 109.294 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 64' ' ' GLN . . . . . 0.636 ' HB3' ' HB3' ' A' ' 99' ' ' ALA . 53.8 tt0 -83.0 128.13 34.19 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.509 1.131 . . . . 0.0 110.331 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 65' ' ' ILE . . . . . 0.582 ' CG2' ' CD2' ' A' ' 73' ' ' PHE . 68.0 mt -80.49 108.98 14.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.469 1.106 . . . . 0.0 109.343 179.971 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . 0.852 HG22 ' O ' ' A' ' 94' ' ' SER . 14.1 m -97.56 -24.38 4.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.488 1.117 . . . . 0.0 109.25 -179.967 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . 0.423 ' C ' HG23 ' A' ' 68' ' ' VAL . 35.9 tt0 -151.86 154.16 35.61 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.494 1.121 . . . . 0.0 110.298 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 68' ' ' VAL . . . . . 0.576 ' CG2' ' CG2' ' A' ' 65' ' ' ILE . 99.5 t -152.32 114.42 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.499 1.125 . . . . 0.0 109.311 -179.975 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 69' ' ' ASN . . . . . 0.808 HD22 HD23 ' A' ' 91' ' ' LEU . 1.2 t-20 57.08 20.68 5.71 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.531 1.145 . . . . 0.0 109.303 -180.0 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 97.16 -0.09 60.12 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.469 1.106 . . . . 0.0 111.005 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 71' ' ' VAL . . . . . 0.697 HG21 ' CG1' ' A' ' 84' ' ' VAL . 61.2 t -75.71 146.03 9.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.458 0.74 . . . . 0.0 109.303 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 4.2 t0 -85.51 87.87 7.45 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.54 1.15 . . . . 0.0 109.358 179.975 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 73' ' ' PHE . . . . . 0.749 ' CG ' HD12 ' A' ' 76' ' ' LEU . 3.3 m-85 -86.79 41.88 0.98 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.461 1.101 . . . . 0.0 110.984 -179.954 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 10.3 t -79.46 -67.32 0.77 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.444 1.09 . . . . 0.0 109.983 -179.961 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 6.5 p30 -113.8 49.48 0.98 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.454 1.096 . . . . 0.0 109.268 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 76' ' ' LEU . . . . . 0.749 HD12 ' CG ' ' A' ' 73' ' ' PHE . 7.1 mt -78.64 -167.7 1.17 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.475 1.109 . . . . 0.0 109.305 179.964 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 21.2 t70 -136.59 171.68 14.13 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.473 1.108 . . . . 0.0 109.314 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 78' ' ' HIS . . . . . . . . . . . . . 62.4 t-80 -71.9 -6.3 40.84 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.447 1.092 . . . . 0.0 109.646 179.972 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 5.3 mmtt -107.8 -36.28 6.44 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.502 1.126 . . . . 0.0 109.257 -179.97 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 80' ' ' GLU . . . . . 0.702 ' CB ' HD22 ' A' ' 76' ' ' LEU . 2.1 mm-40 -79.32 -37.41 37.7 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.545 1.153 . . . . 0.0 110.288 -179.965 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -72.81 -26.48 61.52 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.508 1.13 . . . . 0.0 109.281 -179.98 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 82' ' ' VAL . . . . . 0.699 HG12 ' CE ' ' A' ' 86' ' ' LYS . 4.4 t -83.2 -44.33 18.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.536 1.147 . . . . 0.0 109.288 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 13.0 t30 -59.83 -44.88 93.82 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.453 1.096 . . . . 0.0 109.291 -179.952 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 84' ' ' VAL . . . . . 0.697 ' CG1' HG21 ' A' ' 71' ' ' VAL . 88.5 t -69.19 -28.12 37.62 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.478 1.111 . . . . 0.0 109.298 -179.988 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 17.6 mt -78.39 -39.67 38.38 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.522 1.139 . . . . 0.0 109.299 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 86' ' ' LYS . . . . . 0.699 ' CE ' HG12 ' A' ' 82' ' ' VAL . 4.7 ptpt -86.55 -1.92 58.04 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.56 1.163 . . . . 0.0 109.301 -179.986 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 2.2 t -52.99 -67.88 0.22 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.471 1.107 . . . . 0.0 109.99 179.968 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 88' ' ' SER . . . . . 0.418 ' O ' HD11 ' A' ' 91' ' ' LEU . 0.3 OUTLIER -119.66 -176.98 3.28 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.469 1.106 . . . . 0.0 110.015 179.983 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 5.2 mmt-85 -86.42 -55.19 4.01 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.483 1.114 . . . . 0.0 110.26 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 2.0 m -89.26 119.72 29.99 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.448 1.092 . . . . 0.0 110.004 -179.977 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 91' ' ' LEU . . . . . 0.808 HD23 HD22 ' A' ' 69' ' ' ASN . 1.0 OUTLIER -137.34 148.22 46.13 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.485 1.116 . . . . 0.0 109.246 -179.995 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 92' ' ' THR . . . . . 0.636 HG23 ' HD3' ' A' ' 18' ' ' LYS . 2.8 m -106.58 101.32 10.78 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.488 1.117 . . . . 0.0 110.37 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 93' ' ' ILE . . . . . 0.568 HD12 HG13 ' A' ' 21' ' ' ILE . 17.7 mt -89.3 137.22 21.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.495 1.122 . . . . 0.0 109.314 179.975 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 94' ' ' SER . . . . . 0.852 ' O ' HG22 ' A' ' 66' ' ' VAL . 0.3 OUTLIER -118.97 100.05 7.12 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.536 1.147 . . . . 0.0 109.98 -179.993 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 95' ' ' ILE . . . . . 0.442 HD13 ' CG ' ' A' ' 63' ' ' ASP . 1.2 pt -100.33 168.8 1.77 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.524 1.14 . . . . 0.0 109.31 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 96' ' ' VAL . . . . . 0.862 ' HB ' ' HB2' ' A' ' 99' ' ' ALA . 75.9 t -111.44 34.29 0.85 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.56 1.162 . . . . 0.0 109.298 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 97' ' ' ALA . . . . . 0.413 ' H ' HD12 ' A' ' 95' ' ' ILE . . . 47.09 95.27 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.475 1.109 . . . . 0.0 109.279 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 98' ' ' ALA . . . . . 0.729 ' HB1' ' HG3' ' A' ' 101' ' ' ARG . . . 44.29 59.61 3.18 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.472 1.108 . . . . 0.0 109.33 179.979 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 99' ' ' ALA . . . . . 0.862 ' HB2' ' HB ' ' A' ' 96' ' ' VAL . . . -63.79 -76.38 0.07 Allowed 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.534 1.146 . . . . 0.0 109.285 -179.986 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . -89.66 49.14 3.37 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.478 1.111 . . . . 0.0 111.017 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 101' ' ' ARG . . . . . 0.729 ' HG3' ' HB1' ' A' ' 98' ' ' ALA . 0.0 OUTLIER -63.55 -35.92 82.07 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.552 0.795 . . . . 0.0 110.333 179.993 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 9.6 pt-20 -50.93 -31.14 16.75 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.502 1.126 . . . . 0.0 110.32 -179.987 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 103' ' ' LEU . . . . . 0.857 HD11 ' HG2' ' A' ' 40' ' ' LYS . 70.4 mt -54.23 -34.44 60.69 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.441 1.088 . . . . 0.0 109.287 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 104' ' ' PHE . . . . . 0.4 ' HZ ' ' HG ' ' A' ' 34' ' ' SER . 31.9 m-85 -113.3 49.17 0.98 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.536 1.147 . . . . 0.0 111.002 179.968 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 105' ' ' MET . . . . . . . . . . . . . 2.1 ppp? -97.07 139.35 33.21 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.519 1.137 . . . . 0.0 111.052 179.957 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 22.9 m 55.79 93.45 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.5 1.125 . . . . 0.0 110.425 -179.982 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 15.6 m-20 -126.98 161.07 29.22 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.485 1.116 . . . . 0.0 109.299 -179.98 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -169.41 156.05 6.58 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.484 1.115 . . . . 0.0 110.287 -179.957 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 63.54 156.13 0.06 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.543 1.152 . . . . 0.0 109.988 179.958 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . -157.58 95.98 0.15 Allowed Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.494 1.121 . . . . 0.0 111.041 179.977 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 111' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 98.22 1.14 Allowed 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.532 1.806 . . . . 0.0 111.008 -179.951 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -114.44 98.76 7.1 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.451 1.094 . . . . 0.0 110.012 -179.963 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 28.6 t -149.61 88.6 1.57 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.499 1.125 . . . . 0.0 110.006 -179.98 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.99 0 O-C-N 124.434 1.084 . . . . 0.0 110.994 179.991 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.992 0 N-CA-C 111.026 -0.83 . . . . 0.0 111.026 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 74.6 p -167.64 89.59 0.3 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.521 0.777 . . . . 0.0 109.997 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 36.9 t -169.44 140.5 2.28 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.492 1.12 . . . . 0.0 110.014 179.972 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 147.85 86.5 0.06 OUTLIER Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.553 1.158 . . . . 0.0 110.978 -179.983 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 29.1 t -168.42 103.93 0.44 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.478 0.752 . . . . 0.0 110.02 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 64.1 m -96.71 -20.89 17.92 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.446 1.091 . . . . 0.0 110.017 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 60.96 95.49 0.01 OUTLIER Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.535 1.147 . . . . 0.0 111.016 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 66.7 m -131.71 137.01 29.38 Favored Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.499 0.764 . . . . 0.0 109.987 -179.97 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 -179.03 4.6 Favored 'Trans proline' 0 C--N 1.359 1.12 0 O-C-N 124.518 1.799 . . . . 0.0 111.006 179.957 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 77.47 138.36 1.06 Allowed Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.495 1.122 . . . . 0.0 111.022 -179.953 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 14.2 t-20 -154.75 65.18 0.66 Allowed 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.521 0.777 . . . . 0.0 109.299 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 3.0 mtt180 -107.28 128.78 54.74 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.532 1.145 . . . . 0.0 110.308 -179.981 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -149.29 139.34 22.09 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.486 1.116 . . . . 0.0 110.29 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 7.1 t30 -159.24 -60.62 0.07 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.495 1.122 . . . . 0.0 109.311 179.974 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -72.84 171.32 12.91 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.567 1.167 . . . . 0.0 109.252 -179.977 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 23.7 mt-10 51.66 86.83 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.493 1.121 . . . . 0.0 110.304 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . 0.56 ' HE3' HD11 ' A' ' 95' ' ' ILE . 0.7 OUTLIER -113.39 157.3 22.07 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.546 1.153 . . . . 0.0 109.321 179.974 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -109.21 123.55 49.43 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.409 1.068 . . . . 0.0 109.278 -179.98 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . 0.418 HG23 ' HB ' ' A' ' 93' ' ' ILE . 0.6 OUTLIER -123.46 117.0 50.0 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.551 1.157 . . . . 0.0 109.271 -179.993 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' PHE . . . . . 0.597 ' CE2' ' OG1' ' A' ' 92' ' ' THR . 0.2 OUTLIER -93.6 113.51 25.63 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.526 1.141 . . . . 0.0 111.041 179.937 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' ILE . . . . . 0.438 ' CG1' HD12 ' A' ' 93' ' ' ILE . 24.1 mm -96.53 119.44 44.59 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.505 1.128 . . . . 0.0 109.312 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 4.4 p -113.0 123.91 51.41 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.497 1.123 . . . . 0.0 110.027 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.42 HD13 ' HA ' ' A' ' 23' ' ' LEU . 4.4 mm? -98.1 51.13 1.02 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.491 1.119 . . . . 0.0 109.302 -179.968 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 4.0 m -123.77 168.62 16.11 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.523 1.14 . . . . 0.0 109.31 -179.978 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 67.83 54.94 15.82 Favored Glycine 0 CA--C 1.531 1.042 0 O-C-N 124.51 1.131 . . . . 0.0 110.962 179.941 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 39.78 73.94 0.11 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.489 0.758 . . . . 0.0 110.005 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -145.54 166.25 26.27 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.446 1.091 . . . . 0.0 110.294 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -155.92 143.43 9.78 Favored Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.481 1.113 . . . . 0.0 111.012 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . 0.698 HD11 ' SG ' ' A' ' 31' ' ' CYS . 4.4 tp -62.04 145.6 52.68 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.529 0.782 . . . . 0.0 109.326 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -137.04 38.21 1.77 Allowed Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.51 1.132 . . . . 0.0 110.966 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 31' ' ' CYS . . . . . 0.698 ' SG ' HD11 ' A' ' 29' ' ' LEU . 17.0 p -127.67 142.1 51.43 Favored 'General case' 0 C--N 1.324 -0.508 0 N-CA-C 108.292 -1.003 . . . . 0.0 108.292 179.969 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -101.86 137.68 39.84 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.508 1.13 . . . . 0.0 109.954 -179.973 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 33' ' ' ILE . . . . . 0.563 HD11 ' CG2' ' A' ' 82' ' ' VAL . 5.5 pt -108.37 148.08 12.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.471 1.107 . . . . 0.0 109.348 179.967 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 24.1 m -138.64 142.87 39.06 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.509 1.13 . . . . 0.0 110.001 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 1.7 t -81.89 149.74 28.11 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.543 1.152 . . . . 0.0 110.031 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -92.7 174.72 36.46 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.536 1.148 . . . . 0.0 111.024 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.96 -172.31 1.22 Allowed 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.507 1.793 . . . . 0.0 110.982 -179.983 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 0.8 OUTLIER -72.46 -30.19 33.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.489 1.118 . . . . 0.0 109.336 179.945 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 12.3 pt20 -77.12 -31.02 55.48 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.483 1.114 . . . . 0.0 110.321 179.963 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . 0.68 ' HG2' HD11 ' A' ' 103' ' ' LEU . 0.6 OUTLIER -137.45 62.11 35.03 Favored Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.514 1.134 . . . . 0.0 109.272 179.99 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 41' ' ' PRO . . . . . 0.459 ' HD3' ' N ' ' A' ' 40' ' ' LYS . 18.3 Cg_endo -75.04 146.39 32.47 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.509 1.794 . . . . 0.0 110.974 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 151.54 -166.21 30.67 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.522 1.139 . . . . 0.0 110.981 179.992 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 43' ' ' ILE . . . . . 0.534 HG22 HD12 ' A' ' 65' ' ' ILE . 14.5 mm -114.21 118.74 59.35 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.529 0.782 . . . . 0.0 109.242 -179.949 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 44' ' ' PHE . . . . . 0.567 ' N ' ' CD1' ' A' ' 44' ' ' PHE . 1.5 m-85 -129.35 143.15 50.73 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.475 1.109 . . . . 0.0 110.967 179.98 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 45' ' ' ILE . . . . . 0.594 ' O ' ' CE2' ' A' ' 104' ' ' PHE . 5.4 mt -65.5 150.1 10.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.518 1.136 . . . . 0.0 109.328 179.934 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 1.1 p -119.27 -40.43 2.81 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.521 1.138 . . . . 0.0 110.017 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 47' ' ' HIS . . . . . 0.42 ' O ' ' HA ' ' A' ' 31' ' ' CYS . 44.4 t-80 -156.45 150.39 25.04 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.495 1.122 . . . . 0.0 109.606 179.98 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 48' ' ' VAL . . . . . 0.439 HG21 ' HB2' ' A' ' 54' ' ' SER . 0.6 OUTLIER -150.26 132.76 6.29 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.454 1.096 . . . . 0.0 109.294 -179.978 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . 0.407 ' HA ' ' HD3' ' A' ' 50' ' ' PRO . 0.9 OUTLIER -70.38 143.33 90.47 Favored Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.489 1.118 . . . . 0.0 109.278 -179.978 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 50' ' ' PRO . . . . . 0.407 ' HD3' ' HA ' ' A' ' 49' ' ' LYS . 18.2 Cg_endo -75.06 65.26 6.12 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.506 1.793 . . . . 0.0 111.012 180.0 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 145.35 44.88 0.04 OUTLIER Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.531 1.144 . . . . 0.0 110.99 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 52' ' ' SER . . . . . 0.613 ' H ' ' HB3' ' A' ' 55' ' ' ALA . 3.3 p -112.5 -150.41 0.46 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.511 0.771 . . . . 0.0 110.012 179.97 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . 0.473 HD13 ' HA ' ' A' ' 53' ' ' LEU . 0.0 OUTLIER -84.78 -19.71 32.17 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.479 1.112 . . . . 0.0 109.31 -179.973 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . 0.551 ' O ' HG22 ' A' ' 57' ' ' VAL . 0.7 OUTLIER -94.44 -39.85 10.22 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.475 1.109 . . . . 0.0 109.982 179.977 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . 0.613 ' HB3' ' H ' ' A' ' 52' ' ' SER . . . -60.62 -32.62 71.76 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.49 1.119 . . . . 0.0 109.289 -179.979 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . 0.448 ' CG ' ' O ' ' A' ' 53' ' ' LEU . 0.9 OUTLIER -61.72 -32.78 73.03 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.492 1.12 . . . . 0.0 110.253 -179.955 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 57' ' ' VAL . . . . . 0.58 HG23 ' HG ' ' A' ' 59' ' ' LEU . 33.0 m -95.28 -3.05 10.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.52 1.137 . . . . 0.0 109.259 -179.953 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 79.85 27.3 53.99 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.457 1.098 . . . . 0.0 110.975 179.978 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . 0.58 ' HG ' HG23 ' A' ' 57' ' ' VAL . 9.9 mt -68.39 138.73 55.59 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.453 0.737 . . . . 0.0 109.306 179.976 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 39.8 mt-10 -135.65 170.86 15.31 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.537 1.148 . . . . 0.0 110.314 179.97 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 61' ' ' ILE . . . . . 0.408 ' HA ' HG22 ' A' ' 45' ' ' ILE . 42.5 mt -62.12 137.17 24.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.491 1.119 . . . . 0.0 109.296 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 62' ' ' GLY . . . . . 0.428 ' O ' ' N ' ' A' ' 64' ' ' GLN . . . 111.04 -41.65 2.18 Favored Glycine 0 CA--C 1.531 1.048 0 O-C-N 124.484 1.115 . . . . 0.0 110.973 179.986 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 81.4 m-20 -45.24 97.56 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.542 0.789 . . . . 0.0 109.315 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 64' ' ' GLN . . . . . 0.568 ' HB3' ' HB3' ' A' ' 99' ' ' ALA . 28.1 tt0 -82.87 134.82 35.08 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.491 1.12 . . . . 0.0 110.307 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 65' ' ' ILE . . . . . 0.709 HG23 HG23 ' A' ' 93' ' ' ILE . 16.4 mt -88.38 111.42 22.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.509 1.131 . . . . 0.0 109.255 -179.977 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . 0.604 HG22 ' O ' ' A' ' 94' ' ' SER . 17.3 m -101.04 -21.64 5.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.516 1.135 . . . . 0.0 109.359 179.953 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . 0.428 ' HA ' ' O ' ' A' ' 71' ' ' VAL . 33.8 tt0 -151.92 152.46 32.57 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.537 1.148 . . . . 0.0 110.27 179.986 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 68' ' ' VAL . . . . . 0.684 ' O ' HG23 ' A' ' 71' ' ' VAL . 97.7 t -152.25 119.58 0.7 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.514 1.134 . . . . 0.0 109.335 179.988 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 69' ' ' ASN . . . . . 0.898 ' ND2' HD23 ' A' ' 91' ' ' LEU . 1.1 t-20 51.23 28.57 4.24 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.484 1.115 . . . . 0.0 109.321 -179.956 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 84.84 22.4 53.12 Favored Glycine 0 CA--C 1.529 0.959 0 O-C-N 124.497 1.123 . . . . 0.0 111.036 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 71' ' ' VAL . . . . . 0.684 HG23 ' O ' ' A' ' 68' ' ' VAL . 98.6 t -97.39 158.91 3.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.442 0.73 . . . . 0.0 109.331 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 1.8 t0 -94.47 85.18 4.48 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.545 1.153 . . . . 0.0 109.319 179.966 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 73' ' ' PHE . . . . . 0.794 ' CD1' HD12 ' A' ' 76' ' ' LEU . 3.8 m-85 -89.62 26.31 1.78 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.483 1.114 . . . . 0.0 111.026 179.979 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -79.35 -47.75 15.26 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.463 1.102 . . . . 0.0 110.014 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 2.0 p30 -124.32 48.55 1.91 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.469 1.106 . . . . 0.0 109.312 179.964 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 76' ' ' LEU . . . . . 0.794 HD12 ' CD1' ' A' ' 73' ' ' PHE . 7.1 mt -87.41 -167.71 1.98 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.513 1.133 . . . . 0.0 109.31 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 38.2 t70 -133.4 172.16 13.08 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.491 1.119 . . . . 0.0 109.324 179.969 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 78' ' ' HIS . . . . . . . . . . . . . 60.2 t-80 -72.35 -5.82 39.01 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.485 1.115 . . . . 0.0 109.576 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 9.7 mmtt -109.01 -37.24 5.87 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.474 1.108 . . . . 0.0 109.32 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 80' ' ' GLU . . . . . 0.699 ' CB ' HD22 ' A' ' 76' ' ' LEU . 3.7 mt-10 -78.62 -35.79 45.07 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.527 1.142 . . . . 0.0 110.333 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -73.69 -31.64 63.54 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.495 1.122 . . . . 0.0 109.31 179.937 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 82' ' ' VAL . . . . . 0.828 HG12 ' CE ' ' A' ' 86' ' ' LYS . 44.2 t -82.06 -39.02 16.15 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.54 1.15 . . . . 0.0 109.302 -179.959 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 41.3 t30 -63.92 -40.22 95.97 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.504 1.127 . . . . 0.0 109.326 179.962 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 84' ' ' VAL . . . . . 0.68 HG23 ' O ' ' A' ' 80' ' ' GLU . 83.2 t -73.23 -33.48 41.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.502 1.126 . . . . 0.0 109.267 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 25.9 mt -75.69 -35.28 60.37 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.468 1.105 . . . . 0.0 109.311 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 86' ' ' LYS . . . . . 0.828 ' CE ' HG12 ' A' ' 82' ' ' VAL . 0.2 OUTLIER -88.45 -3.66 58.78 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.508 1.13 . . . . 0.0 109.267 -179.953 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 4.9 t -57.54 -59.79 4.65 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.477 1.111 . . . . 0.0 109.98 -179.936 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 88' ' ' SER . . . . . 0.717 ' O ' HD11 ' A' ' 91' ' ' LEU . 0.4 OUTLIER -128.25 174.39 9.32 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.471 1.107 . . . . 0.0 110.004 179.992 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 24.7 mmt180 -81.51 -58.94 2.8 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.503 1.127 . . . . 0.0 110.312 179.952 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -83.13 117.78 23.12 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.519 1.137 . . . . 0.0 110.039 179.958 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 91' ' ' LEU . . . . . 0.898 HD23 ' ND2' ' A' ' 69' ' ' ASN . 1.1 mt -140.85 143.9 35.01 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.521 1.138 . . . . 0.0 109.307 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 92' ' ' THR . . . . . 0.597 ' OG1' ' CE2' ' A' ' 20' ' ' PHE . 44.0 m -100.12 100.27 11.1 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.471 1.107 . . . . 0.0 110.385 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 93' ' ' ILE . . . . . 0.709 HG23 HG23 ' A' ' 65' ' ' ILE . 16.8 mt -89.91 135.16 26.96 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.551 1.157 . . . . 0.0 109.303 179.978 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 94' ' ' SER . . . . . 0.604 ' O ' HG22 ' A' ' 66' ' ' VAL . 0.4 OUTLIER -115.79 103.24 10.46 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.488 1.118 . . . . 0.0 109.976 -179.971 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 95' ' ' ILE . . . . . 0.56 HD11 ' HE3' ' A' ' 17' ' ' LYS . 1.5 pt -100.3 168.47 1.84 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.462 1.101 . . . . 0.0 109.325 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 96' ' ' VAL . . . . . 0.928 ' HB ' ' HB2' ' A' ' 99' ' ' ALA . 76.0 t -108.32 31.27 0.99 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.473 1.108 . . . . 0.0 109.296 179.985 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 97' ' ' ALA . . . . . 0.434 ' O ' ' O ' ' A' ' 96' ' ' VAL . . . 45.16 95.54 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.479 1.112 . . . . 0.0 109.313 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . 47.74 58.64 4.8 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.531 1.144 . . . . 0.0 109.302 179.992 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 99' ' ' ALA . . . . . 0.928 ' HB2' ' HB ' ' A' ' 96' ' ' VAL . . . -65.21 -68.63 0.35 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.478 1.111 . . . . 0.0 109.316 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . -106.08 59.93 0.39 Allowed Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.532 1.145 . . . . 0.0 110.989 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 1.1 ttp180 -70.78 -29.95 66.29 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.505 0.768 . . . . 0.0 110.319 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 10.5 pt-20 -58.52 -40.04 81.78 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.498 1.124 . . . . 0.0 110.326 179.954 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 103' ' ' LEU . . . . . 0.68 HD11 ' HG2' ' A' ' 40' ' ' LYS . 48.3 mt -40.76 -42.62 1.81 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.483 1.115 . . . . 0.0 109.294 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 104' ' ' PHE . . . . . 0.594 ' CE2' ' O ' ' A' ' 45' ' ' ILE . 48.7 m-85 -102.59 -51.2 3.37 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.52 1.138 . . . . 0.0 110.998 -179.973 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 105' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER 61.11 172.34 0.1 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.488 1.117 . . . . 0.0 110.994 -179.97 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 4.7 t -72.4 122.23 20.86 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.492 1.12 . . . . 0.0 110.389 -179.934 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 6.1 t70 -143.92 132.6 22.42 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.499 1.124 . . . . 0.0 109.278 -179.969 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -108.79 167.41 10.09 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.546 1.154 . . . . 0.0 110.326 179.97 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -156.93 139.11 14.6 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.484 1.115 . . . . 0.0 110.0 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . -76.18 116.6 4.81 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.54 1.15 . . . . 0.0 111.004 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 111' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.96 124.92 9.0 Favored 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.505 1.792 . . . . 0.0 111.007 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 51.28 67.18 0.99 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.503 1.127 . . . . 0.0 109.962 179.957 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 53.44 76.12 0.23 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.516 1.135 . . . . 0.0 109.965 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.001 0 O-C-N 124.497 1.123 . . . . 0.0 110.979 179.983 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.001 0 N-CA-C 111.017 -0.833 . . . . 0.0 111.017 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 37.8 t -172.93 93.86 0.11 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.553 0.796 . . . . 0.0 109.962 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 38.3 p 179.59 153.31 0.46 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.467 1.104 . . . . 0.0 110.018 179.983 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 159.21 100.18 0.16 Allowed Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.49 1.119 . . . . 0.0 111.015 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 179.44 81.31 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.506 0.768 . . . . 0.0 110.003 -179.961 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -109.69 -27.01 9.57 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.45 1.094 . . . . 0.0 109.935 -179.966 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 77.76 139.8 1.34 Allowed Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.5 1.125 . . . . 0.0 111.02 -179.963 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -106.49 117.42 57.12 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.5 0.765 . . . . 0.0 109.992 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 153.78 42.1 Favored 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.454 1.765 . . . . 0.0 111.038 179.944 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -172.0 153.5 19.69 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.462 1.102 . . . . 0.0 110.981 179.985 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 2.7 t-20 -161.05 108.69 1.51 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.456 0.739 . . . . 0.0 109.315 -179.975 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -119.22 118.79 32.24 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.525 1.141 . . . . 0.0 110.263 -179.972 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 4.5 tt0 -165.9 129.2 2.11 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.527 1.142 . . . . 0.0 110.284 179.985 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 6.1 t-20 -168.33 -61.2 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.516 1.135 . . . . 0.0 109.294 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -85.0 171.05 12.4 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.519 1.137 . . . . 0.0 109.31 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . 0.419 ' HA ' ' O ' ' A' ' 95' ' ' ILE . 17.9 mt-10 63.89 108.14 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.497 1.123 . . . . 0.0 110.304 -179.979 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . 0.452 ' CE ' HD11 ' A' ' 95' ' ' ILE . 0.6 OUTLIER -126.49 141.76 51.77 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.497 1.123 . . . . 0.0 109.279 -179.961 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -92.7 125.86 37.51 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.535 1.147 . . . . 0.0 109.298 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . 0.503 HG23 ' HB ' ' A' ' 93' ' ' ILE . 2.6 m -129.36 121.91 54.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.475 1.109 . . . . 0.0 109.286 -179.982 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' PHE . . . . . 0.59 ' CE2' ' OG1' ' A' ' 92' ' ' THR . 0.1 OUTLIER -100.89 115.96 31.64 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.514 1.134 . . . . 0.0 111.018 179.977 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' ILE . . . . . 0.502 HG21 HD12 ' A' ' 29' ' ' LEU . 33.1 mm -97.66 118.11 43.57 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 O-C-N 124.533 1.145 . . . . 0.0 109.309 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 18.2 p -112.87 104.31 12.3 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.418 1.074 . . . . 0.0 109.989 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.662 HD23 ' HA2' ' A' ' 28' ' ' GLY . 3.6 mp -79.14 78.19 5.61 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.506 1.129 . . . . 0.0 109.285 179.979 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 2.4 m -128.1 157.32 40.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.496 1.122 . . . . 0.0 109.337 179.974 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 53.55 -144.83 24.92 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.505 1.128 . . . . 0.0 110.997 -179.959 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 80.5 p -83.76 56.29 3.59 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.452 0.736 . . . . 0.0 109.994 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 19.2 mtm-85 -155.34 94.92 1.65 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.475 1.11 . . . . 0.0 110.315 179.979 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . 0.662 ' HA2' HD23 ' A' ' 23' ' ' LEU . . . -118.41 50.54 0.8 Allowed Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.479 1.112 . . . . 0.0 110.984 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . 0.502 HD12 HG21 ' A' ' 21' ' ' ILE . 0.8 OUTLIER 66.37 147.27 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.468 0.746 . . . . 0.0 109.273 179.967 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -146.49 22.83 1.69 Allowed Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.502 1.126 . . . . 0.0 110.987 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 31' ' ' CYS . . . . . 0.42 ' HA ' ' O ' ' A' ' 47' ' ' HIS . 24.6 p -111.74 148.15 34.11 Favored 'General case' 0 C--N 1.325 -0.482 0 N-CA-C 108.341 -0.985 . . . . 0.0 108.341 179.952 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -102.78 141.84 34.92 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.522 1.138 . . . . 0.0 109.996 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 33' ' ' ILE . . . . . 0.704 HD11 ' CG2' ' A' ' 82' ' ' VAL . 6.3 pt -117.92 145.92 23.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.522 1.138 . . . . 0.0 109.3 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -134.87 168.9 18.23 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.476 1.11 . . . . 0.0 109.989 -179.981 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 74.1 p -96.5 143.48 27.47 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.51 1.131 . . . . 0.0 110.018 179.977 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -95.32 164.7 24.68 Favored Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.521 1.138 . . . . 0.0 111.003 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.05 -172.04 1.15 Allowed 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.492 1.785 . . . . 0.0 110.962 -179.956 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 0.7 OUTLIER -72.18 -30.33 35.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.511 1.132 . . . . 0.0 109.325 -179.976 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 16.9 pt20 -78.09 -30.19 49.43 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.507 1.13 . . . . 0.0 110.3 179.978 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . 0.805 ' HG2' HD11 ' A' ' 103' ' ' LEU . 0.0 OUTLIER -136.01 61.57 41.31 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.5 1.125 . . . . 0.0 109.3 -179.996 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 41' ' ' PRO . . . . . 0.476 ' HD3' ' N ' ' A' ' 40' ' ' LYS . 18.2 Cg_endo -75.0 146.53 32.76 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.505 1.792 . . . . 0.0 110.992 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 142.6 -163.94 27.13 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.509 1.13 . . . . 0.0 110.983 179.954 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 7.5 mm -116.2 118.6 59.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.49 0.759 . . . . 0.0 109.252 -179.965 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 44' ' ' PHE . . . . . 0.573 ' N ' ' CD1' ' A' ' 44' ' ' PHE . 1.2 m-85 -126.63 140.24 52.57 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.521 1.138 . . . . 0.0 111.014 179.974 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 45' ' ' ILE . . . . . 0.527 ' O ' ' CZ ' ' A' ' 104' ' ' PHE . 25.5 mt -66.56 145.06 14.12 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.524 1.14 . . . . 0.0 109.288 -180.0 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . 0.496 ' HA ' ' CE2' ' A' ' 104' ' ' PHE . 0.8 OUTLIER -108.88 -37.36 5.88 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.509 1.131 . . . . 0.0 109.964 -179.992 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 47' ' ' HIS . . . . . 0.42 ' O ' ' HA ' ' A' ' 31' ' ' CYS . 58.8 t-80 -160.27 154.86 23.91 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.482 1.114 . . . . 0.0 109.61 -179.961 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 1.2 p -150.16 127.51 2.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.46 1.1 . . . . 0.0 109.297 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 1.8 mttt -67.7 154.17 93.85 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.559 1.162 . . . . 0.0 109.283 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 130.11 12.94 Favored 'Trans proline' 0 C--N 1.361 1.19 0 O-C-N 124.45 1.763 . . . . 0.0 110.976 -179.983 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 76.7 2.91 77.8 Favored Glycine 0 CA--C 1.529 0.96 0 O-C-N 124.566 1.166 . . . . 0.0 111.016 -179.987 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 80.7 p -56.41 -163.71 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.456 0.739 . . . . 0.0 110.011 -179.972 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . 0.413 ' O ' ' CG ' ' A' ' 56' ' ' GLU . 32.0 tp -83.83 -20.85 32.47 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.5 1.125 . . . . 0.0 109.304 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . 0.782 ' O ' HG22 ' A' ' 57' ' ' VAL . 3.8 m -94.56 -32.99 13.21 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.48 1.112 . . . . 0.0 109.974 -179.965 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -68.59 -30.67 69.48 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.492 1.12 . . . . 0.0 109.287 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . 0.453 ' HG3' HG13 ' A' ' 57' ' ' VAL . 2.8 pt-20 -63.84 -34.29 77.6 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.529 1.143 . . . . 0.0 110.309 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 57' ' ' VAL . . . . . 0.782 HG22 ' O ' ' A' ' 54' ' ' SER . 20.5 m -83.59 -21.3 8.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.482 1.114 . . . . 0.0 109.359 179.976 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 99.61 38.57 3.65 Favored Glycine 0 CA--C 1.531 1.045 0 O-C-N 124.52 1.138 . . . . 0.0 110.99 179.968 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . 0.598 HD12 ' HB3' ' A' ' 54' ' ' SER . 16.6 mt -85.91 141.57 29.47 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.573 0.807 . . . . 0.0 109.299 -179.983 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 25.0 mt-10 -135.13 172.25 13.28 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.523 1.14 . . . . 0.0 110.286 179.975 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 26.5 mt -67.5 124.15 22.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.481 1.113 . . . . 0.0 109.28 179.983 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 119.96 -35.16 3.91 Favored Glycine 0 CA--C 1.529 0.951 0 O-C-N 124.47 1.106 . . . . 0.0 110.966 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . 0.688 ' HB3' HD13 ' A' ' 95' ' ' ILE . 85.1 m-20 -47.02 98.87 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.514 0.773 . . . . 0.0 109.319 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 64' ' ' GLN . . . . . 0.666 ' HB3' ' HB3' ' A' ' 99' ' ' ALA . 44.4 tt0 -82.92 128.6 34.6 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.489 1.118 . . . . 0.0 110.277 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 65' ' ' ILE . . . . . 0.574 ' CG2' ' CG2' ' A' ' 68' ' ' VAL . 54.1 mt -78.27 113.0 16.93 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.47 1.106 . . . . 0.0 109.302 179.975 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . 0.947 HG22 ' O ' ' A' ' 94' ' ' SER . 16.8 m -101.93 -21.24 5.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.506 1.129 . . . . 0.0 109.304 179.976 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . 0.434 ' HG2' ' N ' ' A' ' 68' ' ' VAL . 29.0 tt0 -156.02 150.4 25.71 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.545 1.153 . . . . 0.0 110.321 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 68' ' ' VAL . . . . . 0.706 ' O ' HG23 ' A' ' 71' ' ' VAL . 64.4 t -148.74 117.85 1.07 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.472 1.108 . . . . 0.0 109.269 -179.959 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 69' ' ' ASN . . . . . 0.792 HD22 HD23 ' A' ' 91' ' ' LEU . 1.1 t-20 53.92 25.2 5.13 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.476 1.11 . . . . 0.0 109.336 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 88.38 19.18 53.48 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.486 1.116 . . . . 0.0 111.001 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 71' ' ' VAL . . . . . 0.706 HG23 ' O ' ' A' ' 68' ' ' VAL . 65.8 t -93.96 158.41 2.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.493 0.761 . . . . 0.0 109.264 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 7.0 t0 -93.19 89.29 6.38 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.473 1.108 . . . . 0.0 109.294 179.967 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 73' ' ' PHE . . . . . 0.872 ' CD1' HD12 ' A' ' 76' ' ' LEU . 4.8 m-85 -95.39 21.57 7.93 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.456 1.097 . . . . 0.0 110.992 -180.0 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -75.96 -30.46 58.63 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.507 1.129 . . . . 0.0 110.006 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 6.9 m-80 -143.24 46.32 1.53 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.537 1.148 . . . . 0.0 109.36 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 76' ' ' LEU . . . . . 0.872 HD12 ' CD1' ' A' ' 73' ' ' PHE . 5.0 mt -82.84 -165.48 1.07 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.456 1.098 . . . . 0.0 109.293 -179.947 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 19.4 t0 -131.57 169.15 16.52 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.469 1.106 . . . . 0.0 109.322 179.958 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 78' ' ' HIS . . . . . . . . . . . . . 61.4 t-80 -71.71 -6.92 44.74 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.535 1.147 . . . . 0.0 109.663 179.987 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 19.0 mttt -109.39 -34.77 6.44 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.494 1.121 . . . . 0.0 109.285 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 80' ' ' GLU . . . . . 0.709 ' CB ' HD22 ' A' ' 76' ' ' LEU . 1.8 mm-40 -79.66 -37.84 34.99 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.464 1.103 . . . . 0.0 110.306 -179.986 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 81' ' ' ALA . . . . . 0.488 ' HA ' HD13 ' A' ' 76' ' ' LEU . . . -70.88 -27.59 63.93 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.504 1.127 . . . . 0.0 109.337 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 82' ' ' VAL . . . . . 0.782 HG12 ' CE ' ' A' ' 86' ' ' LYS . 24.8 t -85.96 -38.48 12.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.458 1.099 . . . . 0.0 109.334 179.956 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 2.3 t30 -65.25 -41.79 93.96 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.491 1.119 . . . . 0.0 109.301 179.976 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 84' ' ' VAL . . . . . 0.505 HG11 HG21 ' A' ' 71' ' ' VAL . 69.5 t -73.56 -26.9 22.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.54 1.15 . . . . 0.0 109.31 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 85' ' ' LEU . . . . . 0.427 HD12 ' O ' ' A' ' 81' ' ' ALA . 19.9 mt -80.7 -41.21 24.05 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.491 1.12 . . . . 0.0 109.306 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 86' ' ' LYS . . . . . 0.782 ' CE ' HG12 ' A' ' 82' ' ' VAL . 9.2 ptpt -83.46 -2.96 57.1 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.5 1.125 . . . . 0.0 109.257 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -56.12 -57.25 12.97 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.463 1.102 . . . . 0.0 110.046 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -127.54 -170.36 2.21 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.517 1.136 . . . . 0.0 109.966 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -98.94 -52.71 3.48 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.492 1.12 . . . . 0.0 110.295 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -90.17 110.82 21.83 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.459 1.099 . . . . 0.0 109.998 179.967 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 91' ' ' LEU . . . . . 0.792 HD23 HD22 ' A' ' 69' ' ' ASN . 1.1 mp -133.44 148.15 51.74 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.516 1.135 . . . . 0.0 109.308 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 92' ' ' THR . . . . . 0.59 ' OG1' ' CE2' ' A' ' 20' ' ' PHE . 67.4 m -102.84 100.9 10.93 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.49 1.119 . . . . 0.0 110.399 -179.975 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 93' ' ' ILE . . . . . 0.503 ' HB ' HG23 ' A' ' 19' ' ' VAL . 18.8 mt -89.23 137.47 21.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.474 1.109 . . . . 0.0 109.34 179.982 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 94' ' ' SER . . . . . 0.947 ' O ' HG22 ' A' ' 66' ' ' VAL . 0.3 OUTLIER -122.65 102.72 8.22 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.511 1.132 . . . . 0.0 109.968 -179.941 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 95' ' ' ILE . . . . . 0.688 HD13 ' HB3' ' A' ' 63' ' ' ASP . 1.4 pt -99.96 177.84 0.69 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.459 1.099 . . . . 0.0 109.342 179.96 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 96' ' ' VAL . . . . . 0.929 ' HB ' ' HB2' ' A' ' 99' ' ' ALA . 84.8 t -115.78 35.37 1.02 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.468 1.105 . . . . 0.0 109.32 -179.973 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 97' ' ' ALA . . . . . 0.403 ' O ' ' O ' ' A' ' 96' ' ' VAL . . . 45.13 93.69 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.486 1.116 . . . . 0.0 109.274 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . 45.46 58.98 3.82 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.546 1.154 . . . . 0.0 109.273 180.0 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 99' ' ' ALA . . . . . 0.929 ' HB2' ' HB ' ' A' ' 96' ' ' VAL . . . -61.76 -73.05 0.11 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.489 1.118 . . . . 0.0 109.287 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . -104.1 56.85 0.55 Allowed Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.455 1.097 . . . . 0.0 110.967 -179.977 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 7.0 ptt180 -72.39 -24.6 61.27 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.541 0.789 . . . . 0.0 110.286 179.968 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 10.8 pt-20 -56.02 -24.71 40.92 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.484 1.115 . . . . 0.0 110.269 -179.97 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 103' ' ' LEU . . . . . 0.805 HD11 ' HG2' ' A' ' 40' ' ' LYS . 82.4 mt -56.48 -41.39 76.51 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.466 1.104 . . . . 0.0 109.324 179.976 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 104' ' ' PHE . . . . . 0.527 ' CZ ' ' O ' ' A' ' 45' ' ' ILE . 4.2 m-85 -103.44 47.27 0.89 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.498 1.124 . . . . 0.0 111.002 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 105' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -64.45 108.97 1.79 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.491 1.119 . . . . 0.0 111.0 -179.971 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 53.1 m 61.46 148.87 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.528 1.143 . . . . 0.0 110.377 179.977 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -176.99 115.73 0.1 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.455 1.097 . . . . 0.0 109.304 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -70.49 -24.86 62.93 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.488 1.117 . . . . 0.0 110.309 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER 69.14 -78.77 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.522 1.139 . . . . 0.0 109.971 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 122.19 159.62 10.68 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.438 1.086 . . . . 0.0 111.003 -179.98 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 111' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 -52.28 0.11 Allowed 'Trans proline' 0 C--N 1.359 1.13 0 O-C-N 124.52 1.8 . . . . 0.0 111.021 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 3.0 m 60.02 105.98 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.534 1.146 . . . . 0.0 110.003 179.969 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 5.2 m -105.8 101.02 10.56 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.505 1.128 . . . . 0.0 109.999 -179.987 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.976 0 O-C-N 124.498 1.124 . . . . 0.0 111.027 179.984 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.992 0 N-CA-C 111.003 -0.839 . . . . 0.0 111.003 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 62.25 167.21 0.11 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.474 0.749 . . . . 0.0 110.022 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 7.3 t 65.65 149.01 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.486 1.116 . . . . 0.0 110.046 -179.921 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -179.11 172.53 44.67 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.509 1.131 . . . . 0.0 110.999 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -145.8 163.52 34.74 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.488 0.758 . . . . 0.0 110.011 179.982 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 58.6 p -121.89 30.3 6.71 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.518 1.137 . . . . 0.0 110.038 -180.0 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 154.75 142.61 3.48 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.533 1.146 . . . . 0.0 110.978 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -122.55 128.32 25.48 Favored Pre-proline 0 C--N 1.326 -0.456 0 O-C-N 124.511 0.771 . . . . 0.0 110.008 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 158.43 42.12 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.516 1.798 . . . . 0.0 111.029 179.978 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -167.62 96.75 0.13 Allowed Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.512 1.132 . . . . 0.0 110.989 -179.98 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 8.9 t-20 -163.95 -56.83 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.535 0.785 . . . . 0.0 109.326 179.964 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 5.8 mtp180 42.56 92.72 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.488 1.118 . . . . 0.0 110.298 179.976 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -113.79 111.58 22.0 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.531 1.144 . . . . 0.0 110.298 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -175.98 -63.84 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.467 1.104 . . . . 0.0 109.304 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 11.1 mttt -69.45 170.63 10.15 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.555 1.16 . . . . 0.0 109.297 179.97 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 24.2 mt-10 48.7 91.82 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.538 1.149 . . . . 0.0 110.344 -179.962 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . 0.412 ' CG ' HG13 ' A' ' 95' ' ' ILE . 0.0 OUTLIER -106.14 154.48 20.62 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.532 1.145 . . . . 0.0 109.31 -179.986 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . 0.419 ' HD3' HG23 ' A' ' 92' ' ' THR . 0.0 OUTLIER -107.57 114.02 27.72 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.479 1.112 . . . . 0.0 109.274 -179.983 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 1.0 OUTLIER -118.03 131.86 69.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.499 1.124 . . . . 0.0 109.321 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' PHE . . . . . 0.559 ' CE2' ' OG1' ' A' ' 92' ' ' THR . 3.7 t80 -107.32 111.97 24.58 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.498 1.124 . . . . 0.0 110.983 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' ILE . . . . . 0.471 ' CD1' ' O ' ' A' ' 53' ' ' LEU . 25.3 mm -103.19 112.02 35.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.515 1.134 . . . . 0.0 109.315 179.969 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . 0.836 ' O ' HD11 ' A' ' 53' ' ' LEU . 8.3 t -114.68 122.93 47.98 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.536 1.147 . . . . 0.0 109.996 179.981 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 3.0 mm? -83.05 58.35 4.37 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.465 1.103 . . . . 0.0 109.314 179.983 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 2.5 m -126.47 163.32 28.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.502 1.126 . . . . 0.0 109.331 179.961 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . 0.426 ' O ' ' N ' ' A' ' 27' ' ' ARG . . . 54.56 178.15 0.15 Allowed Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.482 1.114 . . . . 0.0 110.98 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 2.8 m -64.57 77.62 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.511 0.771 . . . . 0.0 110.031 179.943 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . 0.426 ' N ' ' O ' ' A' ' 25' ' ' GLY . 0.4 OUTLIER -173.27 122.16 0.37 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.505 1.128 . . . . 0.0 110.269 -179.98 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . 0.41 ' O ' ' C ' ' A' ' 29' ' ' LEU . . . -134.12 138.37 10.02 Favored Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.459 1.099 . . . . 0.0 111.005 179.971 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . 0.41 ' C ' ' O ' ' A' ' 28' ' ' GLY . 0.8 OUTLIER -39.89 129.96 2.05 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.465 0.744 . . . . 0.0 109.296 179.984 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -128.64 35.56 2.63 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.538 1.149 . . . . 0.0 110.99 179.978 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 31' ' ' CYS . . . . . 0.442 ' HA ' ' O ' ' A' ' 47' ' ' HIS . 27.4 p -125.74 149.49 48.49 Favored 'General case' 0 C--N 1.325 -0.468 0 N-CA-C 108.308 -0.997 . . . . 0.0 108.308 179.978 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -108.34 140.44 41.61 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.442 1.089 . . . . 0.0 110.051 179.945 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 4.0 pt -105.02 152.34 6.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.51 1.131 . . . . 0.0 109.315 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -127.84 169.69 13.63 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.476 1.11 . . . . 0.0 110.005 -179.977 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 93.4 p -105.1 142.43 34.9 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.487 1.117 . . . . 0.0 109.998 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -96.61 161.49 22.1 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.468 1.105 . . . . 0.0 110.971 -179.977 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 -172.82 1.36 Allowed 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.486 1.782 . . . . 0.0 111.028 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 0.8 OUTLIER -71.56 -30.27 38.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.503 1.127 . . . . 0.0 109.253 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 11.9 pt20 -78.09 -28.71 48.78 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.489 1.118 . . . . 0.0 110.306 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . 0.455 ' N ' ' HD3' ' A' ' 41' ' ' PRO . 27.6 tttt -138.85 62.46 27.46 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.475 1.109 . . . . 0.0 109.347 179.954 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 41' ' ' PRO . . . . . 0.455 ' HD3' ' N ' ' A' ' 40' ' ' LYS . 18.2 Cg_endo -75.01 145.14 31.05 Favored 'Trans proline' 0 C--N 1.361 1.186 0 O-C-N 124.539 1.81 . . . . 0.0 110.971 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 150.83 -158.9 27.9 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.497 1.123 . . . . 0.0 110.973 179.974 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 43' ' ' ILE . . . . . 0.42 HG22 HD12 ' A' ' 65' ' ' ILE . 7.9 mm -126.74 121.58 58.74 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.492 0.76 . . . . 0.0 109.264 -179.927 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 44' ' ' PHE . . . . . 0.575 ' CD2' ' HB2' ' A' ' 64' ' ' GLN . 2.3 m-85 -128.48 146.33 50.84 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.489 1.118 . . . . 0.0 110.989 -179.979 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 45' ' ' ILE . . . . . 0.408 ' O ' ' CZ ' ' A' ' 104' ' ' PHE . 14.6 mt -71.06 138.41 21.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.519 1.137 . . . . 0.0 109.319 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -104.77 -36.76 7.3 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.506 1.129 . . . . 0.0 109.994 -179.949 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 47' ' ' HIS . . . . . 0.442 ' O ' ' HA ' ' A' ' 31' ' ' CYS . 43.3 t-80 -154.91 147.47 24.19 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.491 1.12 . . . . 0.0 109.563 -179.989 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 48' ' ' VAL . . . . . 0.4 ' CG2' ' HB2' ' A' ' 54' ' ' SER . 0.8 OUTLIER -150.93 121.89 1.04 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.527 1.142 . . . . 0.0 109.293 -179.98 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . 0.795 ' O ' ' HB2' ' A' ' 55' ' ' ALA . 9.9 mtpt -67.78 156.92 88.05 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.491 1.119 . . . . 0.0 109.273 -179.968 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 -21.7 15.61 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.476 1.777 . . . . 0.0 110.995 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -118.37 53.54 0.65 Allowed Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.546 1.154 . . . . 0.0 111.003 -179.983 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 13.8 p -120.41 -179.59 4.01 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.494 0.761 . . . . 0.0 109.976 -179.965 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . 0.836 HD11 ' O ' ' A' ' 22' ' ' SER . 0.4 OUTLIER -73.26 -9.8 59.09 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.502 1.126 . . . . 0.0 109.322 179.983 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . 1.021 ' O ' HG22 ' A' ' 57' ' ' VAL . 0.9 OUTLIER -96.35 -55.16 3.03 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.516 1.135 . . . . 0.0 110.004 -179.999 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . 0.795 ' HB2' ' O ' ' A' ' 49' ' ' LYS . . . -51.78 -39.34 58.47 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.508 1.13 . . . . 0.0 109.312 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . 0.631 ' HG3' HG13 ' A' ' 57' ' ' VAL . 3.0 pt-20 -55.24 -29.58 58.31 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.485 1.116 . . . . 0.0 110.318 179.971 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 57' ' ' VAL . . . . . 1.021 HG22 ' O ' ' A' ' 54' ' ' SER . 3.2 m -91.87 -22.76 5.95 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.512 1.133 . . . . 0.0 109.3 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 101.29 39.43 3.04 Favored Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.53 1.144 . . . . 0.0 111.032 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . 0.564 HD12 ' HB3' ' A' ' 54' ' ' SER . 15.6 mt -85.62 140.91 30.2 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.498 0.764 . . . . 0.0 109.32 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 32.4 mt-10 -138.45 164.53 29.13 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.489 1.118 . . . . 0.0 110.353 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 39.7 mt -59.88 126.6 17.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.472 1.107 . . . . 0.0 109.294 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 122.73 -35.64 3.37 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.518 1.136 . . . . 0.0 110.989 179.974 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . 0.565 ' HB3' HD13 ' A' ' 95' ' ' ILE . 72.5 m-20 -49.94 98.08 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.468 0.746 . . . . 0.0 109.301 -179.979 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 64' ' ' GLN . . . . . 0.575 ' HB2' ' CD2' ' A' ' 44' ' ' PHE . 58.2 tt0 -83.05 123.07 29.13 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.501 1.126 . . . . 0.0 110.319 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 65' ' ' ILE . . . . . 0.617 ' CG2' ' CG2' ' A' ' 68' ' ' VAL . 2.6 mt -76.99 109.49 11.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.504 1.127 . . . . 0.0 109.275 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . 0.628 HG22 ' O ' ' A' ' 94' ' ' SER . 23.3 m -100.75 -24.34 4.13 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.472 1.107 . . . . 0.0 109.278 179.976 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . 0.442 ' HG2' ' N ' ' A' ' 68' ' ' VAL . 29.6 tt0 -149.8 148.7 29.5 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.441 1.088 . . . . 0.0 110.318 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 68' ' ' VAL . . . . . 0.723 ' O ' HG23 ' A' ' 71' ' ' VAL . 95.3 t -148.25 121.56 1.8 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.5 1.125 . . . . 0.0 109.311 179.98 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 69' ' ' ASN . . . . . 0.774 ' ND2' HD23 ' A' ' 91' ' ' LEU . 1.1 t-20 51.07 26.46 2.8 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.538 1.149 . . . . 0.0 109.301 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 86.47 22.28 48.04 Favored Glycine 0 CA--C 1.529 0.959 0 O-C-N 124.488 1.117 . . . . 0.0 111.023 -179.954 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 71' ' ' VAL . . . . . 0.723 HG23 ' O ' ' A' ' 68' ' ' VAL . 81.3 t -96.17 158.76 3.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.479 0.752 . . . . 0.0 109.328 179.958 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 3.0 t0 -93.83 91.24 6.86 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.457 1.098 . . . . 0.0 109.309 -179.983 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 73' ' ' PHE . . . . . 0.842 ' CD1' HD12 ' A' ' 76' ' ' LEU . 5.1 m-85 -96.91 17.47 16.75 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.466 1.104 . . . . 0.0 111.04 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -67.48 -30.59 70.32 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.505 1.128 . . . . 0.0 110.024 179.97 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 75.4 m-20 -148.79 56.02 1.02 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.476 1.11 . . . . 0.0 109.332 -179.977 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 76' ' ' LEU . . . . . 0.842 HD12 ' CD1' ' A' ' 73' ' ' PHE . 6.3 mt -89.59 -166.99 1.73 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.496 1.123 . . . . 0.0 109.312 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 37.3 t70 -130.73 170.38 14.43 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.453 1.095 . . . . 0.0 109.315 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 78' ' ' HIS . . . . . . . . . . . . . 64.6 t-80 -71.59 -6.67 42.57 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.492 1.12 . . . . 0.0 109.567 -179.987 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 4.1 mmtt -108.62 -37.18 5.99 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.486 1.116 . . . . 0.0 109.294 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 80' ' ' GLU . . . . . 0.705 ' CB ' HD22 ' A' ' 76' ' ' LEU . 3.0 mm-40 -78.42 -38.6 41.11 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.526 1.141 . . . . 0.0 110.284 -179.979 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 81' ' ' ALA . . . . . 0.464 ' HA ' HD13 ' A' ' 76' ' ' LEU . . . -69.8 -30.89 68.54 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.46 1.1 . . . . 0.0 109.288 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 82' ' ' VAL . . . . . 0.813 HG12 ' CE ' ' A' ' 86' ' ' LYS . 11.5 t -79.63 -48.05 21.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.535 1.147 . . . . 0.0 109.333 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 45.0 t30 -54.66 -45.94 73.91 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.5 1.125 . . . . 0.0 109.31 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 84' ' ' VAL . . . . . 0.56 HG11 ' HE1' ' A' ' 73' ' ' PHE . 71.2 t -67.81 -24.97 31.46 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 O-C-N 124.522 1.139 . . . . 0.0 109.288 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 85' ' ' LEU . . . . . 0.419 HD23 ' HA ' ' A' ' 85' ' ' LEU . 15.2 mt -81.05 -40.41 24.24 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.546 1.154 . . . . 0.0 109.332 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 86' ' ' LYS . . . . . 0.813 ' CE ' HG12 ' A' ' 82' ' ' VAL . 0.9 OUTLIER -84.49 -1.51 55.85 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.484 1.115 . . . . 0.0 109.271 -179.987 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 9.3 t -55.66 -66.67 0.38 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.447 1.092 . . . . 0.0 109.987 -179.982 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 88' ' ' SER . . . . . 0.855 ' O ' HD11 ' A' ' 91' ' ' LEU . 0.5 OUTLIER -128.77 176.74 7.58 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.508 1.13 . . . . 0.0 109.994 179.969 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 21.9 mmt85 -82.53 -58.22 3.01 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.489 1.118 . . . . 0.0 110.28 -179.932 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -78.94 108.97 12.81 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.535 1.147 . . . . 0.0 109.986 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 91' ' ' LEU . . . . . 0.855 HD11 ' O ' ' A' ' 88' ' ' SER . 1.1 mt -133.08 143.58 49.42 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.556 1.16 . . . . 0.0 109.334 179.954 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 92' ' ' THR . . . . . 0.559 ' OG1' ' CE2' ' A' ' 20' ' ' PHE . 18.8 m -103.82 100.95 10.76 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.564 1.165 . . . . 0.0 110.427 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 93' ' ' ILE . . . . . 0.548 HG23 HG23 ' A' ' 65' ' ' ILE . 15.4 mt -89.48 132.77 33.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.529 1.143 . . . . 0.0 109.329 180.0 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 94' ' ' SER . . . . . 0.628 ' O ' HG22 ' A' ' 66' ' ' VAL . 0.5 OUTLIER -114.82 102.83 10.37 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.461 1.101 . . . . 0.0 110.019 179.998 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 95' ' ' ILE . . . . . 0.565 HD13 ' HB3' ' A' ' 63' ' ' ASP . 1.6 pt -104.82 167.46 2.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.497 1.123 . . . . 0.0 109.345 179.966 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 96' ' ' VAL . . . . . 0.87 ' HB ' ' HB2' ' A' ' 99' ' ' ALA . 73.3 t -104.87 29.56 0.89 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.481 1.113 . . . . 0.0 109.304 -179.977 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 97' ' ' ALA . . . . . 0.415 ' O ' ' O ' ' A' ' 96' ' ' VAL . . . 45.29 94.58 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.522 1.139 . . . . 0.0 109.268 179.978 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . 53.44 54.88 9.43 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.487 1.117 . . . . 0.0 109.271 179.958 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 99' ' ' ALA . . . . . 0.87 ' HB2' ' HB ' ' A' ' 96' ' ' VAL . . . -62.77 -69.92 0.23 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.515 1.134 . . . . 0.0 109.273 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . -102.59 59.71 0.54 Allowed Glycine 0 CA--C 1.529 0.954 0 O-C-N 124.514 1.134 . . . . 0.0 111.019 -179.99 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -71.19 -25.43 62.52 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.494 0.761 . . . . 0.0 110.279 -179.974 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -66.88 -27.52 67.58 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.534 1.146 . . . . 0.0 110.275 -179.982 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 103' ' ' LEU . . . . . 0.456 HD23 ' HA ' ' A' ' 103' ' ' LEU . 14.8 mt -53.93 -38.94 65.43 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.462 1.101 . . . . 0.0 109.306 179.969 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 104' ' ' PHE . . . . . 0.408 ' CZ ' ' O ' ' A' ' 45' ' ' ILE . 49.0 m-85 -105.22 54.29 0.71 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.481 1.113 . . . . 0.0 111.022 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 105' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -78.09 -57.96 3.51 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.469 1.106 . . . . 0.0 111.035 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 17.7 m 63.08 115.87 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.523 1.139 . . . . 0.0 110.43 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 15.9 p-10 -124.68 139.91 53.43 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.483 1.114 . . . . 0.0 109.346 -179.987 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 5.1 mtt180 -177.83 150.51 0.64 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.492 1.12 . . . . 0.0 110.292 -179.98 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 52.6 p -98.27 136.94 37.74 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.463 1.102 . . . . 0.0 109.997 179.986 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 124.46 91.59 0.93 Allowed Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.558 1.161 . . . . 0.0 111.026 -179.973 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 111' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 138.84 23.54 Favored 'Trans proline' 0 C--N 1.359 1.124 0 O-C-N 124.523 1.802 . . . . 0.0 111.012 -179.987 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 7.8 t -142.75 126.02 16.53 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.523 1.139 . . . . 0.0 110.046 179.981 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -94.85 127.37 40.82 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.504 1.127 . . . . 0.0 109.975 -179.973 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.991 0 O-C-N 124.548 1.155 . . . . 0.0 111.013 179.973 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.02 0 N-CA-C 111.029 -0.829 . . . . 0.0 111.029 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.6 t -147.04 159.64 43.34 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.526 0.78 . . . . 0.0 110.001 179.947 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 48.2 t 58.16 100.31 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.51 1.131 . . . . 0.0 109.977 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 158.46 138.05 2.4 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.565 1.165 . . . . 0.0 110.99 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 47.2 p -131.47 150.45 52.15 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.439 0.729 . . . . 0.0 110.005 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 8.1 t -91.36 -26.98 18.64 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.46 1.1 . . . . 0.0 109.976 -179.989 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 56.16 164.95 0.04 OUTLIER Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.51 1.131 . . . . 0.0 111.001 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 23.0 t -102.64 123.09 43.81 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.473 0.749 . . . . 0.0 109.964 -179.938 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 -53.23 0.1 Allowed 'Trans proline' 0 C--N 1.359 1.109 0 O-C-N 124.494 1.786 . . . . 0.0 111.017 179.96 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 73.05 109.57 0.06 OUTLIER Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.504 1.127 . . . . 0.0 111.016 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -100.38 118.9 37.58 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.553 0.796 . . . . 0.0 109.315 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 175.62 117.86 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.502 1.126 . . . . 0.0 110.297 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 1.4 mt-10 -175.38 108.74 0.1 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.496 1.122 . . . . 0.0 110.317 -179.956 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 68.4 m-80 -73.69 -54.65 7.61 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.52 1.138 . . . . 0.0 109.33 179.974 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -74.7 170.4 15.91 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.482 1.114 . . . . 0.0 109.268 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 18.3 mt-10 53.54 95.09 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.506 1.129 . . . . 0.0 110.298 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . 0.863 ' HE2' HD11 ' A' ' 95' ' ' ILE . 0.0 OUTLIER -116.19 144.87 43.61 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.453 1.095 . . . . 0.0 109.287 -180.0 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -92.64 135.27 34.23 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.518 1.136 . . . . 0.0 109.278 179.974 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . 0.435 HG23 ' O ' ' A' ' 93' ' ' ILE . 0.1 OUTLIER -135.46 116.84 19.87 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.451 1.095 . . . . 0.0 109.271 179.986 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 0.9 OUTLIER -95.01 110.49 22.39 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.46 1.1 . . . . 0.0 111.009 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' ILE . . . . . 0.676 HG21 ' CD1' ' A' ' 29' ' ' LEU . 28.5 mm -105.61 109.78 28.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.535 1.147 . . . . 0.0 109.298 -180.0 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . 0.484 ' O ' HD21 ' A' ' 53' ' ' LEU . 55.8 p -112.94 134.78 54.29 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.528 1.143 . . . . 0.0 109.978 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.531 HD13 ' HA2' ' A' ' 28' ' ' GLY . 2.9 mm? -71.36 65.15 0.42 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.496 1.123 . . . . 0.0 109.309 179.974 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . 0.584 HG23 ' N ' ' A' ' 25' ' ' GLY . 1.4 m -140.8 -165.04 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.536 1.148 . . . . 0.0 109.268 -179.966 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . 0.584 ' N ' HG23 ' A' ' 24' ' ' VAL . . . 50.39 46.77 44.74 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.519 1.137 . . . . 0.0 111.016 179.967 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 83.1 p 41.04 74.75 0.1 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.468 0.746 . . . . 0.0 110.049 -179.961 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 1.5 mtm180 -167.0 160.75 14.42 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.484 1.115 . . . . 0.0 110.33 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . 0.531 ' HA2' HD13 ' A' ' 23' ' ' LEU . . . -145.06 29.89 1.8 Allowed Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.553 1.158 . . . . 0.0 111.012 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . 0.676 ' CD1' HG21 ' A' ' 21' ' ' ILE . 1.1 tp 72.94 130.89 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.505 0.768 . . . . 0.0 109.321 -179.963 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -127.43 25.68 5.07 Favored Glycine 0 CA--C 1.529 0.947 0 O-C-N 124.558 1.161 . . . . 0.0 111.039 179.959 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 31' ' ' CYS . . . . . 0.498 ' HG ' ' HG ' ' A' ' 54' ' ' SER . 26.4 p -112.7 146.79 38.09 Favored 'General case' 0 C--N 1.325 -0.469 0 N-CA-C 108.297 -1.001 . . . . 0.0 108.297 -179.984 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -108.77 138.66 44.74 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.533 1.146 . . . . 0.0 110.03 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 33' ' ' ILE . . . . . 0.541 HD11 HG23 ' A' ' 82' ' ' VAL . 11.5 pt -106.29 146.55 12.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.515 1.134 . . . . 0.0 109.275 -179.936 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 53.6 p -128.43 160.05 33.49 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.522 1.139 . . . . 0.0 109.98 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 22.1 p -89.32 147.87 23.86 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.473 1.108 . . . . 0.0 109.968 -179.984 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -100.59 161.82 18.77 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.519 1.137 . . . . 0.0 110.994 179.976 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 -170.63 0.81 Allowed 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.47 1.774 . . . . 0.0 111.011 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 0.8 OUTLIER -73.19 -30.35 30.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.507 1.13 . . . . 0.0 109.332 179.983 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 4.2 pt20 -78.2 -29.66 48.54 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.433 1.083 . . . . 0.0 110.315 179.979 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . 0.95 ' HG2' HD11 ' A' ' 103' ' ' LEU . 0.4 OUTLIER -137.19 61.91 35.74 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.548 1.155 . . . . 0.0 109.31 179.953 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 41' ' ' PRO . . . . . 0.467 ' HD3' ' N ' ' A' ' 40' ' ' LYS . 18.1 Cg_endo -75.03 146.75 32.92 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.522 1.801 . . . . 0.0 110.982 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 141.67 -160.24 26.96 Favored Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.461 1.101 . . . . 0.0 110.988 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 11.7 mm -115.23 124.95 72.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.548 0.793 . . . . 0.0 109.322 179.96 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 44' ' ' PHE . . . . . 0.594 ' CD2' HD12 ' A' ' 103' ' ' LEU . 3.4 m-85 -132.78 136.92 46.61 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.509 1.131 . . . . 0.0 111.017 179.958 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 45' ' ' ILE . . . . . 0.461 ' O ' ' CE2' ' A' ' 104' ' ' PHE . 8.4 mt -63.06 143.38 15.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.498 1.124 . . . . 0.0 109.286 -179.963 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 5.7 p -111.95 -36.19 5.47 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.548 1.155 . . . . 0.0 109.997 -179.984 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 47' ' ' HIS . . . . . 0.433 ' O ' ' HA ' ' A' ' 31' ' ' CYS . 63.4 t-80 -157.17 149.11 22.59 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.518 1.136 . . . . 0.0 109.622 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -150.53 119.33 0.89 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.506 1.129 . . . . 0.0 109.339 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 4.9 mtpt -68.08 152.03 96.76 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.531 1.144 . . . . 0.0 109.28 -179.967 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 134.4 17.8 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.546 1.814 . . . . 0.0 111.022 179.967 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 81.01 -6.65 62.04 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.537 1.148 . . . . 0.0 111.03 -179.962 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 58.5 p -55.97 -169.75 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.514 0.773 . . . . 0.0 110.005 179.977 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . 0.538 ' HG ' HG23 ' A' ' 21' ' ' ILE . 12.1 tp -76.63 -18.75 58.42 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.457 1.098 . . . . 0.0 109.269 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . 0.951 ' O ' HG22 ' A' ' 57' ' ' VAL . 1.1 m -95.62 -46.06 6.79 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.549 1.156 . . . . 0.0 110.004 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -58.79 -35.5 72.92 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.515 1.134 . . . . 0.0 109.298 -179.985 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . 0.617 ' HG3' HG13 ' A' ' 57' ' ' VAL . 2.8 pt-20 -59.95 -30.04 68.81 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.46 1.1 . . . . 0.0 110.291 179.979 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 57' ' ' VAL . . . . . 0.951 HG22 ' O ' ' A' ' 54' ' ' SER . 4.1 m -90.84 -14.98 8.62 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.457 1.098 . . . . 0.0 109.293 -179.969 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 96.39 27.43 9.93 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.52 1.138 . . . . 0.0 111.004 179.976 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . 0.57 HD23 ' OD2' ' A' ' 63' ' ' ASP . 10.9 mt -75.3 141.74 43.36 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.497 0.763 . . . . 0.0 109.307 179.977 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 29.9 mt-10 -140.54 171.93 13.43 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.537 1.148 . . . . 0.0 110.326 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 61' ' ' ILE . . . . . 0.412 ' O ' ' CG ' ' A' ' 101' ' ' ARG . 30.9 mt -67.12 132.53 32.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.499 1.124 . . . . 0.0 109.328 179.957 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 113.85 -32.75 5.83 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.471 1.107 . . . . 0.0 110.974 179.968 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . 0.593 ' CG ' HD13 ' A' ' 95' ' ' ILE . 43.2 m-20 -52.55 98.98 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.47 0.747 . . . . 0.0 109.318 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 64' ' ' GLN . . . . . 0.58 ' HB2' ' CD2' ' A' ' 44' ' ' PHE . 41.7 tt0 -82.65 122.61 28.35 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.511 1.132 . . . . 0.0 110.303 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 65' ' ' ILE . . . . . 0.604 ' CG2' ' CG2' ' A' ' 68' ' ' VAL . 92.5 mt -73.96 108.19 5.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.509 1.131 . . . . 0.0 109.259 -179.969 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . 0.785 HG22 ' O ' ' A' ' 94' ' ' SER . 12.8 m -96.66 -23.28 4.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.534 1.146 . . . . 0.0 109.275 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . 0.427 ' HA ' ' O ' ' A' ' 71' ' ' VAL . 38.0 tt0 -152.47 154.42 35.47 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.503 1.127 . . . . 0.0 110.299 179.973 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 68' ' ' VAL . . . . . 0.604 ' CG2' ' CG2' ' A' ' 65' ' ' ILE . 77.4 t -152.32 114.6 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 O-C-N 124.478 1.111 . . . . 0.0 109.29 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 69' ' ' ASN . . . . . 0.864 ' ND2' HD23 ' A' ' 91' ' ' LEU . 1.5 t-20 58.83 17.04 4.92 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.573 1.171 . . . . 0.0 109.348 -179.97 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 100.13 -1.2 56.21 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.5 1.125 . . . . 0.0 110.976 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 71' ' ' VAL . . . . . 0.464 HG21 ' CG1' ' A' ' 84' ' ' VAL . 58.4 t -75.87 145.16 11.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.494 0.761 . . . . 0.0 109.293 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 2.1 t0 -84.17 91.16 7.64 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.488 1.118 . . . . 0.0 109.316 -179.969 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 73' ' ' PHE . . . . . 0.803 ' CD1' HD12 ' A' ' 76' ' ' LEU . 3.1 m-85 -88.15 35.52 0.75 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.525 1.141 . . . . 0.0 111.0 -179.94 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 2.8 t -70.34 -65.49 0.72 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.5 1.125 . . . . 0.0 109.977 -179.945 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 2.4 m-80 -119.18 54.79 0.96 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.502 1.126 . . . . 0.0 109.246 -179.952 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 76' ' ' LEU . . . . . 0.803 HD12 ' CD1' ' A' ' 73' ' ' PHE . 6.6 mt -81.42 -166.38 1.16 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.454 1.096 . . . . 0.0 109.315 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 28.7 t70 -135.68 169.52 17.42 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.534 1.147 . . . . 0.0 109.343 179.965 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 78' ' ' HIS . . . . . . . . . . . . . 61.3 t-80 -70.58 -7.18 42.06 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.462 1.101 . . . . 0.0 109.581 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -108.22 -37.14 6.1 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.52 1.138 . . . . 0.0 109.315 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 80' ' ' GLU . . . . . 0.736 ' O ' HG23 ' A' ' 84' ' ' VAL . 2.7 mt-10 -76.53 -37.18 57.09 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.551 1.157 . . . . 0.0 110.292 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -72.66 -40.63 66.17 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.546 1.154 . . . . 0.0 109.281 179.977 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 82' ' ' VAL . . . . . 0.541 HG23 HD11 ' A' ' 33' ' ' ILE . 4.4 t -65.75 -52.17 53.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.495 1.122 . . . . 0.0 109.309 179.959 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 83' ' ' ASN . . . . . 0.462 ' HA ' ' CD ' ' A' ' 86' ' ' LYS . 6.7 t30 -53.43 -46.57 69.85 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.475 1.109 . . . . 0.0 109.298 -179.958 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 84' ' ' VAL . . . . . 0.736 HG23 ' O ' ' A' ' 80' ' ' GLU . 93.1 t -67.71 -22.13 28.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.445 1.09 . . . . 0.0 109.253 -179.97 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 25.3 mt -85.9 -31.56 22.12 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.491 1.119 . . . . 0.0 109.288 -179.97 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 86' ' ' LYS . . . . . 0.522 ' HD2' HG12 ' A' ' 82' ' ' VAL . 0.0 OUTLIER -97.2 -0.99 45.87 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.506 1.129 . . . . 0.0 109.346 179.971 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 87' ' ' SER . . . . . 0.458 ' N ' ' O ' ' A' ' 83' ' ' ASN . 8.5 t -53.18 -70.36 0.09 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.487 1.117 . . . . 0.0 110.032 -179.97 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 88' ' ' SER . . . . . 0.425 ' O ' HD11 ' A' ' 91' ' ' LEU . 0.4 OUTLIER -116.74 -178.71 3.49 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.495 1.122 . . . . 0.0 110.002 179.955 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 12.2 mmt85 -83.99 -56.76 3.5 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.523 1.139 . . . . 0.0 110.279 -179.98 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -85.78 117.66 24.79 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.475 1.109 . . . . 0.0 110.035 179.976 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 91' ' ' LEU . . . . . 0.864 HD23 ' ND2' ' A' ' 69' ' ' ASN . 1.1 mt -135.68 147.29 48.48 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.463 1.102 . . . . 0.0 109.293 179.958 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 92.7 m -109.93 101.18 10.04 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.45 1.094 . . . . 0.0 110.365 -179.952 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 93' ' ' ILE . . . . . 0.435 ' O ' HG23 ' A' ' 19' ' ' VAL . 11.2 mt -89.07 136.15 24.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.481 1.113 . . . . 0.0 109.28 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 94' ' ' SER . . . . . 0.785 ' O ' HG22 ' A' ' 66' ' ' VAL . 0.3 OUTLIER -118.74 103.89 10.08 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.491 1.119 . . . . 0.0 110.011 -179.994 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 95' ' ' ILE . . . . . 0.863 HD11 ' HE2' ' A' ' 17' ' ' LYS . 1.1 pt -100.52 174.56 0.98 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.466 1.104 . . . . 0.0 109.35 179.985 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 96' ' ' VAL . . . . . 0.91 ' HB ' ' HB2' ' A' ' 99' ' ' ALA . 68.9 t -114.3 31.75 1.56 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.49 1.119 . . . . 0.0 109.303 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 97' ' ' ALA . . . . . 0.555 ' H ' HD12 ' A' ' 95' ' ' ILE . . . 45.24 96.15 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.548 1.155 . . . . 0.0 109.279 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . 46.99 59.17 4.17 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.55 1.156 . . . . 0.0 109.276 179.966 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 99' ' ' ALA . . . . . 0.91 ' HB2' ' HB ' ' A' ' 96' ' ' VAL . . . -66.04 -70.39 0.24 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.519 1.137 . . . . 0.0 109.276 -179.982 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . -105.53 60.5 0.39 Allowed Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.431 1.082 . . . . 0.0 111.009 179.971 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 101' ' ' ARG . . . . . 0.412 ' CG ' ' O ' ' A' ' 61' ' ' ILE . 0.0 OUTLIER -72.26 -31.46 65.79 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.498 0.763 . . . . 0.0 110.301 179.995 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 11.6 pt-20 -61.38 -25.45 67.18 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.508 1.13 . . . . 0.0 110.279 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 103' ' ' LEU . . . . . 0.95 HD11 ' HG2' ' A' ' 40' ' ' LYS . 86.3 mt -54.18 -25.09 20.81 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.501 1.126 . . . . 0.0 109.348 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 104' ' ' PHE . . . . . 0.461 ' CE2' ' O ' ' A' ' 45' ' ' ILE . 86.4 m-85 -113.79 58.63 0.67 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.472 1.107 . . . . 0.0 111.025 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 105' ' ' MET . . . . . . . . . . . . . 1.3 mmt -108.47 83.75 1.82 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.482 1.114 . . . . 0.0 111.02 -179.962 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 4.0 m -154.94 -71.3 0.12 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.567 1.167 . . . . 0.0 110.417 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 1.4 t0 71.81 137.17 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.52 1.138 . . . . 0.0 109.287 -179.985 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -173.76 108.96 0.15 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.511 1.132 . . . . 0.0 110.307 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -90.22 164.66 14.32 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.502 1.126 . . . . 0.0 110.023 179.979 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 178.01 88.07 0.07 OUTLIER Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.484 1.115 . . . . 0.0 110.981 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 111' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 -63.94 0.03 OUTLIER 'Trans proline' 0 C--N 1.361 1.186 0 O-C-N 124.477 1.778 . . . . 0.0 111.029 179.954 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 1.5 m -83.41 100.14 10.51 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.519 1.137 . . . . 0.0 109.978 -179.982 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 2.3 m -92.72 106.35 18.34 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.497 1.123 . . . . 0.0 110.016 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.007 0 O-C-N 124.483 1.114 . . . . 0.0 110.984 -179.976 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.023 0 N-CA-C 111.021 -0.832 . . . . 0.0 111.021 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER 63.49 129.65 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.551 0.795 . . . . 0.0 109.971 -179.984 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -178.31 111.69 0.06 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.521 1.138 . . . . 0.0 109.945 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 170.68 98.33 0.11 Allowed Glycine 0 CA--C 1.531 1.048 0 O-C-N 124.492 1.12 . . . . 0.0 110.987 179.95 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 14.4 m -145.0 122.66 11.81 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.51 0.771 . . . . 0.0 110.021 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.4 t -104.92 29.02 6.62 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.489 1.118 . . . . 0.0 110.033 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 86.55 160.9 35.13 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.538 1.148 . . . . 0.0 111.012 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 3.2 m -118.77 105.94 44.75 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.427 0.722 . . . . 0.0 109.999 -179.954 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.91 160.64 40.15 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.505 1.792 . . . . 0.0 111.036 179.975 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 139.74 113.45 1.09 Allowed Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.523 1.139 . . . . 0.0 111.055 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 19.6 t-20 -178.38 138.06 0.17 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.474 0.749 . . . . 0.0 109.348 -179.975 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -132.2 151.89 51.58 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.473 1.108 . . . . 0.0 110.282 -179.991 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 12.0 pt-20 -109.48 128.01 54.85 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.489 1.118 . . . . 0.0 110.301 180.0 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 5.4 t-20 179.98 -59.9 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.497 1.123 . . . . 0.0 109.342 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -89.63 171.17 9.87 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.52 1.138 . . . . 0.0 109.298 -180.0 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . 0.418 ' HG3' HG22 ' A' ' 96' ' ' VAL . 20.9 mt-10 47.52 84.55 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.51 1.131 . . . . 0.0 110.292 -179.983 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . 0.548 ' CE ' HD11 ' A' ' 95' ' ' ILE . 0.1 OUTLIER -111.21 144.13 40.86 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.48 1.112 . . . . 0.0 109.347 179.969 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . 0.614 ' HD3' HG23 ' A' ' 92' ' ' THR . 0.2 OUTLIER -94.8 139.01 31.86 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.512 1.133 . . . . 0.0 109.311 -179.999 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . 0.455 HG23 ' HB ' ' A' ' 93' ' ' ILE . 3.5 m -140.64 124.22 17.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.556 1.16 . . . . 0.0 109.283 179.988 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' PHE . . . . . 0.598 ' CE2' ' OG1' ' A' ' 92' ' ' THR . 0.1 OUTLIER -96.99 122.16 39.67 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.491 1.119 . . . . 0.0 110.972 -179.977 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' ILE . . . . . 0.694 HG23 ' HB3' ' A' ' 53' ' ' LEU . 9.3 mm -108.15 118.58 56.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.472 1.108 . . . . 0.0 109.32 179.972 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 79.1 p -110.93 113.84 26.71 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.445 1.091 . . . . 0.0 109.98 -179.989 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.467 ' CD1' ' HA2' ' A' ' 28' ' ' GLY . 3.9 mm? -82.55 58.43 4.18 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.521 1.138 . . . . 0.0 109.273 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 2.3 m -125.87 167.29 20.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.531 1.144 . . . . 0.0 109.31 179.962 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 68.33 -165.49 46.51 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.525 1.14 . . . . 0.0 111.013 -179.983 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 3.0 p -81.15 68.56 7.49 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.499 0.764 . . . . 0.0 109.99 -179.968 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 1.2 mtt180 -178.2 119.18 0.09 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.512 1.133 . . . . 0.0 110.306 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . 0.467 ' HA2' ' CD1' ' A' ' 23' ' ' LEU . . . -121.84 58.34 0.59 Allowed Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.425 1.078 . . . . 0.0 111.027 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . 0.542 ' H ' HD23 ' A' ' 53' ' ' LEU . 3.6 tp 63.41 154.63 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.501 0.765 . . . . 0.0 109.288 -179.972 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -154.22 28.77 0.71 Allowed Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.544 1.152 . . . . 0.0 111.006 179.976 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 31' ' ' CYS . . . . . 0.435 ' HA ' ' O ' ' A' ' 47' ' ' HIS . 20.1 p -117.4 143.3 46.13 Favored 'General case' 0 C--N 1.325 -0.476 0 N-CA-C 108.289 -1.004 . . . . 0.0 108.289 179.983 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -99.4 137.65 37.6 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.485 1.116 . . . . 0.0 109.963 -179.971 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 33' ' ' ILE . . . . . 0.525 HD11 ' CG2' ' A' ' 82' ' ' VAL . 11.8 pt -112.34 144.67 19.62 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.504 1.127 . . . . 0.0 109.262 -179.971 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 14.7 m -127.27 141.05 51.82 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.533 1.146 . . . . 0.0 110.002 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 22.3 p -78.54 127.71 32.53 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.472 1.107 . . . . 0.0 109.993 -179.969 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -74.35 166.09 54.78 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.451 1.094 . . . . 0.0 111.012 180.0 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.06 -173.43 1.57 Allowed 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.464 1.77 . . . . 0.0 110.994 179.98 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 0.7 OUTLIER -71.41 -29.99 37.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.437 1.085 . . . . 0.0 109.282 -179.96 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 15.1 pt20 -78.2 -29.25 48.34 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.486 1.116 . . . . 0.0 110.316 179.979 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . 0.458 ' N ' ' HD3' ' A' ' 41' ' ' PRO . 7.1 tttt -137.84 62.54 34.67 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.522 1.139 . . . . 0.0 109.33 179.967 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 41' ' ' PRO . . . . . 0.458 ' HD3' ' N ' ' A' ' 40' ' ' LYS . 18.3 Cg_endo -75.04 144.7 30.42 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.483 1.781 . . . . 0.0 111.017 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 152.46 -153.59 24.98 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.513 1.133 . . . . 0.0 110.972 -179.967 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 43' ' ' ILE . . . . . 0.698 HG22 HD12 ' A' ' 65' ' ' ILE . 33.5 mm -126.61 126.56 69.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.502 0.766 . . . . 0.0 109.279 -179.972 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 44' ' ' PHE . . . . . 0.594 ' CD2' ' HB2' ' A' ' 64' ' ' GLN . 1.9 m-85 -133.92 151.61 51.56 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.468 1.105 . . . . 0.0 111.015 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 45' ' ' ILE . . . . . 0.463 ' O ' ' CE2' ' A' ' 104' ' ' PHE . 26.2 mt -83.51 142.12 13.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.515 1.134 . . . . 0.0 109.323 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 28.5 t -110.34 -36.26 5.84 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.566 1.167 . . . . 0.0 109.975 -179.98 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 47' ' ' HIS . . . . . 0.435 ' O ' ' HA ' ' A' ' 31' ' ' CYS . 58.4 t-80 -157.69 156.25 31.39 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.473 1.108 . . . . 0.0 109.593 -179.974 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -150.3 135.1 9.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.518 1.136 . . . . 0.0 109.343 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 2.1 mttt -71.43 147.38 92.66 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.492 1.12 . . . . 0.0 109.311 -179.975 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 56.78 4.36 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.532 1.807 . . . . 0.0 111.017 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 155.4 43.65 0.02 OUTLIER Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.498 1.124 . . . . 0.0 110.993 -179.981 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 52' ' ' SER . . . . . 0.513 ' H ' ' HB3' ' A' ' 55' ' ' ALA . 98.1 p -115.27 -177.0 3.03 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.512 0.772 . . . . 0.0 110.032 180.0 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . 0.694 ' HB3' HG23 ' A' ' 21' ' ' ILE . 0.5 OUTLIER -61.8 -15.67 43.5 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.52 1.137 . . . . 0.0 109.289 -179.966 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . 0.517 ' O ' HG22 ' A' ' 57' ' ' VAL . 0.1 OUTLIER -92.35 -41.88 10.1 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.48 1.113 . . . . 0.0 110.006 179.995 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . 0.513 ' HB3' ' H ' ' A' ' 52' ' ' SER . . . -63.16 -44.45 95.46 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.46 1.1 . . . . 0.0 109.339 179.961 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . 0.566 ' HG3' HG13 ' A' ' 57' ' ' VAL . 8.6 pt-20 -52.36 -34.67 48.7 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.494 1.121 . . . . 0.0 110.347 179.958 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 57' ' ' VAL . . . . . 0.566 HG13 ' HG3' ' A' ' 56' ' ' GLU . 26.9 m -91.72 -19.73 6.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.498 1.124 . . . . 0.0 109.325 179.968 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 92.0 25.81 21.09 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.47 1.106 . . . . 0.0 111.002 -179.988 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . 0.456 ' HG ' HG23 ' A' ' 57' ' ' VAL . 13.9 mt -66.44 138.11 57.32 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.477 0.751 . . . . 0.0 109.331 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 24.5 mt-10 -127.74 168.86 14.51 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.524 1.14 . . . . 0.0 110.312 -179.975 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 61' ' ' ILE . . . . . 0.451 ' O ' ' CG ' ' A' ' 101' ' ' ARG . 22.9 mt -62.17 139.38 20.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.478 1.111 . . . . 0.0 109.313 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 106.59 -33.43 6.45 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.513 1.133 . . . . 0.0 111.057 -179.981 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . 0.549 ' CG ' HD13 ' A' ' 95' ' ' ILE . 65.9 m-20 -49.7 97.21 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.531 0.783 . . . . 0.0 109.271 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 64' ' ' GLN . . . . . 0.635 ' HB3' ' HB3' ' A' ' 99' ' ' ALA . 50.5 tt0 -83.2 127.25 33.46 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.521 1.138 . . . . 0.0 110.314 179.966 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 65' ' ' ILE . . . . . 0.746 HG23 HG23 ' A' ' 93' ' ' ILE . 17.5 mt -80.57 109.12 14.67 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.434 0 O-C-N 124.483 1.115 . . . . 0.0 109.317 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . 0.509 HG22 ' O ' ' A' ' 94' ' ' SER . 3.5 m -98.18 -25.92 3.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.529 1.143 . . . . 0.0 109.303 -179.983 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . 0.435 ' HA ' ' O ' ' A' ' 71' ' ' VAL . 27.2 tt0 -145.28 153.15 40.98 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.523 1.139 . . . . 0.0 110.288 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 68' ' ' VAL . . . . . 0.624 ' CG2' ' CG2' ' A' ' 65' ' ' ILE . 86.3 t -152.62 112.58 0.41 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.509 1.131 . . . . 0.0 109.334 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 69' ' ' ASN . . . . . 0.819 HD22 HD23 ' A' ' 91' ' ' LEU . 1.1 t-20 53.29 25.73 4.69 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.474 1.109 . . . . 0.0 109.319 -179.958 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 88.95 18.63 53.79 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.547 1.155 . . . . 0.0 111.025 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 71' ' ' VAL . . . . . 0.474 HG23 ' O ' ' A' ' 68' ' ' VAL . 70.1 t -100.26 131.6 47.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.516 0.774 . . . . 0.0 109.286 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 2.5 t0 -68.5 84.94 0.28 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.502 1.126 . . . . 0.0 109.284 -179.978 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 73' ' ' PHE . . . . . 0.759 ' CD1' HD12 ' A' ' 76' ' ' LEU . 2.4 m-85 -87.89 18.33 4.23 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.513 1.133 . . . . 0.0 110.962 -179.965 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -74.75 -55.3 6.0 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.518 1.137 . . . . 0.0 109.964 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 85.0 m-20 -112.56 49.04 0.95 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.505 1.128 . . . . 0.0 109.294 -179.953 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 76' ' ' LEU . . . . . 0.759 HD12 ' CD1' ' A' ' 73' ' ' PHE . 6.0 mt -90.26 -166.27 1.55 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.479 1.112 . . . . 0.0 109.297 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 25.0 t70 -131.98 169.26 16.56 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.54 1.15 . . . . 0.0 109.288 179.964 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 78' ' ' HIS . . . . . . . . . . . . . 60.6 t-80 -71.3 -6.38 39.46 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.525 1.141 . . . . 0.0 109.637 179.971 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 11.9 mmtt -109.76 -36.64 5.87 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.495 1.122 . . . . 0.0 109.299 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 80' ' ' GLU . . . . . 0.698 ' CB ' HD22 ' A' ' 76' ' ' LEU . 4.4 mm-40 -76.97 -37.11 55.82 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.506 1.129 . . . . 0.0 110.266 179.994 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 81' ' ' ALA . . . . . 0.422 ' CB ' HG13 ' A' ' 43' ' ' ILE . . . -71.26 -35.23 71.32 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.467 1.104 . . . . 0.0 109.35 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 82' ' ' VAL . . . . . 0.838 HG12 ' CE ' ' A' ' 86' ' ' LYS . 41.1 t -79.13 -36.64 18.55 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 O-C-N 124.509 1.131 . . . . 0.0 109.301 179.983 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 2.9 t30 -63.03 -46.95 85.16 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.504 1.128 . . . . 0.0 109.294 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 84' ' ' VAL . . . . . 0.466 HG11 ' HE1' ' A' ' 73' ' ' PHE . 78.9 t -70.04 -33.26 54.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.477 1.111 . . . . 0.0 109.301 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 15.1 mt -73.12 -36.77 66.79 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.455 1.097 . . . . 0.0 109.297 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 86' ' ' LYS . . . . . 0.838 ' CE ' HG12 ' A' ' 82' ' ' VAL . 9.6 ptpt -90.29 -3.11 57.98 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.519 1.137 . . . . 0.0 109.323 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 46.7 t -59.13 -60.23 4.2 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.533 1.145 . . . . 0.0 109.995 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -120.19 -176.11 3.13 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.482 1.113 . . . . 0.0 109.989 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 17.0 mmt180 -91.9 -55.42 3.46 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.492 1.12 . . . . 0.0 110.308 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 1.4 m -90.63 121.03 32.19 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.519 1.137 . . . . 0.0 110.014 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 91' ' ' LEU . . . . . 0.819 HD23 HD22 ' A' ' 69' ' ' ASN . 1.1 mt -140.48 142.67 35.28 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.557 1.161 . . . . 0.0 109.279 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 92' ' ' THR . . . . . 0.614 HG23 ' HD3' ' A' ' 18' ' ' LYS . 16.3 m -98.14 101.02 12.38 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.527 1.142 . . . . 0.0 110.411 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 93' ' ' ILE . . . . . 0.746 HG23 HG23 ' A' ' 65' ' ' ILE . 21.0 mt -89.85 143.81 10.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.505 1.128 . . . . 0.0 109.269 -179.966 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 94' ' ' SER . . . . . 0.509 ' O ' HG22 ' A' ' 66' ' ' VAL . 0.3 OUTLIER -124.76 103.23 7.98 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.505 1.128 . . . . 0.0 110.006 179.996 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 95' ' ' ILE . . . . . 0.557 HD12 ' H ' ' A' ' 97' ' ' ALA . 1.1 pt -100.35 167.17 2.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.533 1.146 . . . . 0.0 109.332 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 96' ' ' VAL . . . . . 0.847 ' HB ' ' HB2' ' A' ' 99' ' ' ALA . 79.2 t -110.57 35.22 0.69 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.522 1.139 . . . . 0.0 109.331 179.988 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 97' ' ' ALA . . . . . 0.557 ' H ' HD12 ' A' ' 95' ' ' ILE . . . 46.51 95.0 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.551 1.157 . . . . 0.0 109.303 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 98' ' ' ALA . . . . . 0.704 ' HB1' ' HG3' ' A' ' 101' ' ' ARG . . . 44.19 59.49 3.2 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.475 1.109 . . . . 0.0 109.295 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 99' ' ' ALA . . . . . 0.847 ' HB2' ' HB ' ' A' ' 96' ' ' VAL . . . -62.05 -57.52 11.29 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.515 1.134 . . . . 0.0 109.286 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . -113.6 58.74 0.41 Allowed Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.52 1.137 . . . . 0.0 110.985 -179.976 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 101' ' ' ARG . . . . . 0.704 ' HG3' ' HB1' ' A' ' 98' ' ' ALA . 0.0 OUTLIER -71.02 -35.83 72.17 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.474 0.75 . . . . 0.0 110.292 -179.995 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 1.3 pt-20 -57.69 -29.58 64.79 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.522 1.139 . . . . 0.0 110.317 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 69.4 mt -53.17 -38.92 63.2 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.506 1.129 . . . . 0.0 109.295 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 104' ' ' PHE . . . . . 0.463 ' CE2' ' O ' ' A' ' 45' ' ' ILE . 65.1 m-85 -102.56 52.3 0.8 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.528 1.143 . . . . 0.0 110.975 -179.967 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 105' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -81.22 128.56 33.92 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.501 1.126 . . . . 0.0 111.032 179.96 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 41.1 m 61.48 126.02 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.492 1.12 . . . . 0.0 110.375 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -107.12 150.34 26.68 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.493 1.12 . . . . 0.0 109.304 179.956 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -127.81 -58.34 1.23 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.485 1.116 . . . . 0.0 110.295 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -60.17 108.09 0.74 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.468 1.105 . . . . 0.0 109.987 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . -122.99 156.54 17.4 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.554 1.159 . . . . 0.0 110.975 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 111' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 168.7 24.25 Favored 'Trans proline' 0 C--N 1.361 1.205 0 O-C-N 124.467 1.772 . . . . 0.0 110.985 -179.988 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 18.0 m 55.32 168.67 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.487 1.117 . . . . 0.0 110.023 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 87.9 p 47.02 83.53 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.486 1.116 . . . . 0.0 110.025 -179.967 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.99 0 O-C-N 124.537 1.148 . . . . 0.0 111.001 -179.989 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.993 0 N-CA-C 110.978 -0.849 . . . . 0.0 110.978 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -158.0 167.04 31.03 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.492 0.76 . . . . 0.0 110.007 179.971 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 13.9 m -118.66 169.93 9.4 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.442 1.089 . . . . 0.0 110.0 -179.981 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -139.97 163.82 26.21 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.521 1.138 . . . . 0.0 111.023 -179.98 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 8.3 m -150.44 137.66 19.47 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.515 0.773 . . . . 0.0 110.005 179.944 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 54.0 p -121.59 30.42 6.73 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.516 1.135 . . . . 0.0 109.994 179.999 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -123.33 147.22 16.64 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.482 1.114 . . . . 0.0 110.988 179.99 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 18.6 p -137.29 126.71 15.31 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.473 0.749 . . . . 0.0 109.998 179.957 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.01 -179.47 5.03 Favored 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.509 1.794 . . . . 0.0 111.003 179.982 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -136.39 -88.59 0.24 Allowed Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.541 1.151 . . . . 0.0 111.017 179.995 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER 64.3 144.19 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.536 0.786 . . . . 0.0 109.31 179.999 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -130.7 -53.1 1.07 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.544 1.152 . . . . 0.0 110.299 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 2.9 mt-10 69.07 137.17 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.436 1.085 . . . . 0.0 110.338 -179.988 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 4.3 t30 -176.31 -68.82 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.477 1.111 . . . . 0.0 109.277 -179.982 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -108.55 171.07 7.63 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.446 1.091 . . . . 0.0 109.315 -179.998 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 21.8 mt-10 52.5 87.95 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.537 1.148 . . . . 0.0 110.336 -179.99 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . 0.776 ' HE2' HD11 ' A' ' 95' ' ' ILE . 0.0 OUTLIER -113.71 143.14 45.11 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.511 1.132 . . . . 0.0 109.316 179.992 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -95.42 128.89 42.64 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.468 1.105 . . . . 0.0 109.312 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . 0.455 HG23 ' HB ' ' A' ' 93' ' ' ILE . 2.5 m -129.08 130.34 68.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.461 1.101 . . . . 0.0 109.299 179.978 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 20' ' ' PHE . . . . . 0.566 ' CD2' ' OG1' ' A' ' 92' ' ' THR . 0.4 OUTLIER -107.25 115.08 29.55 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.517 1.136 . . . . 0.0 110.995 179.991 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 21' ' ' ILE . . . . . 0.474 HG22 ' CD2' ' A' ' 23' ' ' LEU . 14.6 mm -103.39 112.6 37.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.482 1.114 . . . . 0.0 109.275 179.974 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . 0.46 ' C ' HD22 ' A' ' 23' ' ' LEU . 33.5 t -105.08 137.46 42.81 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.516 1.135 . . . . 0.0 109.991 179.973 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.474 ' CD2' HG22 ' A' ' 21' ' ' ILE . 3.4 mm? -122.23 60.81 0.98 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.486 1.116 . . . . 0.0 109.344 179.962 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . 0.409 HG13 ' OG ' ' A' ' 22' ' ' SER . 8.3 m -104.39 -31.58 2.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.488 1.118 . . . . 0.0 109.312 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -126.43 -148.76 7.16 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.499 1.124 . . . . 0.0 110.975 -179.968 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -48.72 177.14 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.447 0.734 . . . . 0.0 110.003 -179.979 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . 0.87 ' CB ' HD13 ' A' ' 53' ' ' LEU . 15.8 mmt-85 65.07 123.85 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.512 1.133 . . . . 0.0 110.288 -179.968 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . 0.456 ' HA2' HD12 ' A' ' 23' ' ' LEU . . . -132.44 41.09 1.53 Allowed Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.467 1.104 . . . . 0.0 111.006 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER 64.57 108.72 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.529 0.782 . . . . 0.0 109.335 -179.978 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -108.92 27.71 12.52 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.533 1.146 . . . . 0.0 111.015 -179.95 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 28.5 p -120.63 146.67 46.15 Favored 'General case' 0 C--N 1.326 -0.441 0 N-CA-C 108.314 -0.995 . . . . 0.0 108.314 -179.963 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -105.11 140.38 38.37 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.513 1.133 . . . . 0.0 109.961 -179.95 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 33' ' ' ILE . . . . . 0.405 HD11 ' CG2' ' A' ' 82' ' ' VAL . 6.6 pt -106.09 148.88 10.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.444 1.09 . . . . 0.0 109.289 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 1.1 p -123.34 168.7 12.16 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.432 1.082 . . . . 0.0 110.04 -179.99 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 11.9 p -109.02 124.5 50.83 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.542 1.151 . . . . 0.0 109.971 179.999 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -74.23 163.24 54.48 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.502 1.126 . . . . 0.0 111.023 179.963 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 -170.98 0.86 Allowed 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.498 1.788 . . . . 0.0 111.013 179.979 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 5.5 tt -72.84 -30.14 31.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.506 1.128 . . . . 0.0 109.296 179.985 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 7.2 pt20 -77.6 -29.99 52.19 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.486 1.116 . . . . 0.0 110.318 -179.997 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . 0.56 ' HD3' HD11 ' A' ' 103' ' ' LEU . 27.9 tttp -138.8 62.75 29.25 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.457 1.098 . . . . 0.0 109.262 -179.973 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 41' ' ' PRO . . . . . 0.456 ' HD3' ' N ' ' A' ' 40' ' ' LYS . 18.2 Cg_endo -75.05 145.63 31.5 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.476 1.777 . . . . 0.0 110.961 -179.988 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 155.85 -151.76 23.25 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.494 1.121 . . . . 0.0 111.042 179.985 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 43' ' ' ILE . . . . . 0.575 HG22 ' CD1' ' A' ' 65' ' ' ILE . 13.2 mm -134.32 116.12 21.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.527 0.78 . . . . 0.0 109.306 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 44' ' ' PHE . . . . . 0.591 ' CD2' ' HB2' ' A' ' 64' ' ' GLN . 1.4 m-85 -124.61 150.52 45.9 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.503 1.127 . . . . 0.0 111.026 179.984 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 45' ' ' ILE . . . . . 0.489 HG21 ' CG2' ' A' ' 48' ' ' VAL . 13.7 mt -75.63 136.6 24.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.482 1.114 . . . . 0.0 109.303 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 3.1 p -100.03 -40.41 7.64 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.425 1.078 . . . . 0.0 109.999 179.982 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 57.3 t-80 -146.48 161.96 39.31 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.547 1.154 . . . . 0.0 109.608 179.989 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 48' ' ' VAL . . . . . 0.489 ' CG2' HG21 ' A' ' 45' ' ' ILE . 75.0 t -145.08 116.68 2.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.578 1.174 . . . . 0.0 109.321 -179.981 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 12.9 mtpt -67.45 156.64 88.07 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.498 1.124 . . . . 0.0 109.299 179.988 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 122.88 7.47 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.448 1.762 . . . . 0.0 110.978 179.999 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 71.85 22.91 78.63 Favored Glycine 0 CA--C 1.531 1.056 0 O-C-N 124.47 1.106 . . . . 0.0 110.965 179.98 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 42.6 p -70.65 -173.2 0.72 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.53 0.782 . . . . 0.0 110.01 179.978 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . 0.87 HD13 ' CB ' ' A' ' 27' ' ' ARG . 11.9 tp -78.9 -16.01 57.59 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.468 1.105 . . . . 0.0 109.33 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . 0.809 ' O ' HG22 ' A' ' 57' ' ' VAL . 0.0 OUTLIER -94.99 -39.51 10.14 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.489 1.118 . . . . 0.0 110.003 179.968 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -66.57 -40.52 89.03 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.456 1.097 . . . . 0.0 109.301 -179.998 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . 0.698 ' CD ' HD12 ' A' ' 53' ' ' LEU . 6.8 pt-20 -54.39 -37.33 64.9 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.517 1.135 . . . . 0.0 110.286 -179.992 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 57' ' ' VAL . . . . . 0.809 HG22 ' O ' ' A' ' 54' ' ' SER . 13.5 m -82.5 -26.7 8.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.498 1.124 . . . . 0.0 109.305 179.996 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 108.26 37.82 2.06 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.46 1.1 . . . . 0.0 111.028 -179.963 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . 0.512 ' HG ' HG23 ' A' ' 57' ' ' VAL . 35.4 mt -93.34 142.07 27.73 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.486 0.757 . . . . 0.0 109.277 -179.988 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 29.5 mt-10 -144.11 173.24 11.91 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.506 1.129 . . . . 0.0 110.304 179.971 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 69.2 mt -59.69 131.86 24.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.533 1.146 . . . . 0.0 109.337 179.971 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 62' ' ' GLY . . . . . 0.45 ' O ' ' N ' ' A' ' 64' ' ' GLN . . . 114.98 -41.73 2.1 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.491 1.119 . . . . 0.0 110.975 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . 0.629 ' CG ' HD13 ' A' ' 95' ' ' ILE . 84.4 m-20 -44.77 96.35 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.472 0.748 . . . . 0.0 109.338 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 64' ' ' GLN . . . . . 0.591 ' HB2' ' CD2' ' A' ' 44' ' ' PHE . 48.3 tt0 -82.89 122.61 28.47 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.54 1.15 . . . . 0.0 110.314 -179.982 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 65' ' ' ILE . . . . . 0.588 ' CG2' ' CG2' ' A' ' 68' ' ' VAL . 2.5 mp -73.43 110.5 6.99 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.464 1.102 . . . . 0.0 109.262 -179.946 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . 0.767 HG22 ' O ' ' A' ' 94' ' ' SER . 20.9 m -99.96 -22.36 4.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.476 1.11 . . . . 0.0 109.308 179.978 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . 0.457 ' HA ' ' O ' ' A' ' 71' ' ' VAL . 32.9 tt0 -152.88 153.9 33.99 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.51 1.131 . . . . 0.0 110.291 179.975 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 68' ' ' VAL . . . . . 0.597 ' HB ' ' CE1' ' A' ' 73' ' ' PHE . 85.6 t -152.79 114.7 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.498 1.124 . . . . 0.0 109.327 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 69' ' ' ASN . . . . . 0.818 ' ND2' HD23 ' A' ' 91' ' ' LEU . 1.1 t-20 56.22 19.68 4.04 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.547 1.155 . . . . 0.0 109.332 -179.948 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 94.56 10.98 57.53 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.445 1.09 . . . . 0.0 110.986 179.986 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 71' ' ' VAL . . . . . 0.593 HG11 HG11 ' A' ' 84' ' ' VAL . 63.8 t -90.54 138.97 18.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.478 0.752 . . . . 0.0 109.285 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 1.1 t70 -75.24 91.15 2.62 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.463 1.102 . . . . 0.0 109.265 -179.997 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 73' ' ' PHE . . . . . 0.778 ' CD1' HD12 ' A' ' 76' ' ' LEU . 3.0 m-85 -92.17 12.94 20.51 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.472 1.108 . . . . 0.0 111.003 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -60.72 -58.12 9.81 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.541 1.151 . . . . 0.0 110.019 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -118.97 59.48 0.83 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.467 1.105 . . . . 0.0 109.275 -179.998 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 76' ' ' LEU . . . . . 0.778 HD12 ' CD1' ' A' ' 73' ' ' PHE . 6.7 mt -94.91 -167.37 1.62 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.506 1.129 . . . . 0.0 109.31 179.971 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 45.1 t0 -132.0 170.84 14.36 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.466 1.103 . . . . 0.0 109.345 179.954 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 78' ' ' HIS . . . . . . . . . . . . . 63.4 t-80 -71.65 -7.23 46.61 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.519 1.137 . . . . 0.0 109.666 179.977 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -107.47 -38.05 6.03 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.478 1.111 . . . . 0.0 109.322 179.996 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 80' ' ' GLU . . . . . 0.698 ' CB ' HD22 ' A' ' 76' ' ' LEU . 2.6 mm-40 -77.04 -37.38 54.93 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.51 1.131 . . . . 0.0 110.295 -179.98 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -72.48 -34.61 67.81 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.567 1.167 . . . . 0.0 109.329 179.97 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 82' ' ' VAL . . . . . 0.788 HG12 ' CE ' ' A' ' 86' ' ' LYS . 39.5 t -77.42 -42.56 30.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.459 1.1 . . . . 0.0 109.264 -179.985 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 40.5 t30 -60.28 -45.8 92.06 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.496 1.123 . . . . 0.0 109.296 179.984 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 84' ' ' VAL . . . . . 0.593 HG11 HG11 ' A' ' 71' ' ' VAL . 76.7 t -70.54 -30.93 44.65 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.535 1.147 . . . . 0.0 109.288 179.997 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 19.0 mt -75.46 -33.06 60.83 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.486 1.116 . . . . 0.0 109.293 -179.968 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 86' ' ' LYS . . . . . 0.788 ' CE ' HG12 ' A' ' 82' ' ' VAL . 0.3 OUTLIER -91.52 -1.72 57.42 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.507 1.129 . . . . 0.0 109.319 179.976 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 1.7 t -54.66 -68.25 0.2 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.505 1.128 . . . . 0.0 110.005 -179.983 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 88' ' ' SER . . . . . 0.774 ' O ' HD11 ' A' ' 91' ' ' LEU . 0.3 OUTLIER -122.48 179.52 4.56 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.452 1.095 . . . . 0.0 110.016 179.987 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 4.2 mmt180 -85.7 -57.24 3.13 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.504 1.128 . . . . 0.0 110.294 -179.995 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -80.88 107.59 13.82 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.463 1.102 . . . . 0.0 109.98 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 91' ' ' LEU . . . . . 0.818 HD23 ' ND2' ' A' ' 69' ' ' ASN . 1.1 mt -131.95 142.56 49.66 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.549 1.156 . . . . 0.0 109.312 -179.986 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 92' ' ' THR . . . . . 0.566 ' OG1' ' CD2' ' A' ' 20' ' ' PHE . 1.1 m -102.37 101.74 12.01 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.424 1.077 . . . . 0.0 110.419 179.978 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 93' ' ' ILE . . . . . 0.5 HG23 HG23 ' A' ' 65' ' ' ILE . 19.4 mt -89.24 138.55 19.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.485 1.116 . . . . 0.0 109.301 -179.978 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 94' ' ' SER . . . . . 0.767 ' O ' HG22 ' A' ' 66' ' ' VAL . 0.3 OUTLIER -121.36 104.41 9.68 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.536 1.148 . . . . 0.0 110.03 179.984 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 95' ' ' ILE . . . . . 0.776 HD11 ' HE2' ' A' ' 17' ' ' LYS . 1.1 pt -100.75 172.14 1.29 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.519 1.137 . . . . 0.0 109.306 -179.98 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 96' ' ' VAL . . . . . 0.902 ' HB ' ' HB2' ' A' ' 99' ' ' ALA . 75.7 t -112.36 32.92 1.11 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.437 1.086 . . . . 0.0 109.288 179.97 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 97' ' ' ALA . . . . . 0.633 ' H ' HD12 ' A' ' 95' ' ' ILE . . . 45.72 95.4 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.486 1.117 . . . . 0.0 109.287 179.936 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 98' ' ' ALA . . . . . 0.602 ' HB1' ' HG3' ' A' ' 101' ' ' ARG . . . 44.98 59.94 3.21 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.504 1.127 . . . . 0.0 109.25 179.996 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 99' ' ' ALA . . . . . 0.902 ' HB2' ' HB ' ' A' ' 96' ' ' VAL . . . -65.4 -68.38 0.37 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.509 1.131 . . . . 0.0 109.286 179.962 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . -101.57 57.01 0.68 Allowed Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.489 1.118 . . . . 0.0 110.998 -179.99 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 101' ' ' ARG . . . . . 0.602 ' HG3' ' HB1' ' A' ' 98' ' ' ALA . 0.0 OUTLIER -71.52 -20.15 62.08 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.492 0.76 . . . . 0.0 110.329 179.949 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -76.02 -14.54 60.22 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.509 1.131 . . . . 0.0 110.307 179.968 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 103' ' ' LEU . . . . . 0.56 HD11 ' HD3' ' A' ' 40' ' ' LYS . 26.2 mt -68.37 -16.64 64.0 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.475 1.109 . . . . 0.0 109.292 179.98 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 104' ' ' PHE . . . . . . . . . . . . . 58.4 m-85 -124.21 -49.19 1.82 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.481 1.113 . . . . 0.0 110.946 -179.956 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 105' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER 44.88 87.67 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.525 1.141 . . . . 0.0 110.968 179.97 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 28.4 m 60.41 147.12 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.461 1.101 . . . . 0.0 110.409 179.986 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 37.4 t0 -147.19 142.25 27.07 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.435 1.084 . . . . 0.0 109.33 -179.99 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -165.46 137.19 4.05 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.457 1.098 . . . . 0.0 110.286 -179.956 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 109' ' ' SER . . . . . 0.442 ' HA ' ' CA ' ' A' ' 114' ' ' GLY . 0.2 OUTLIER 61.72 127.98 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.523 1.139 . . . . 0.0 109.958 179.957 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 171.68 -67.73 0.13 Allowed Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.538 1.149 . . . . 0.0 110.973 179.988 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 111' ' ' PRO . . . . . 0.4 ' O ' ' O ' ' A' ' 112' ' ' SER . 18.1 Cg_endo -75.02 55.06 3.84 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.458 1.768 . . . . 0.0 110.966 -179.977 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 112' ' ' SER . . . . . 0.406 ' O ' ' O ' ' A' ' 113' ' ' SER . 1.2 m 61.15 126.57 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.499 1.125 . . . . 0.0 109.966 179.942 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 113' ' ' SER . . . . . 0.406 ' O ' ' O ' ' A' ' 112' ' ' SER . 31.8 t 45.26 94.52 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.529 1.143 . . . . 0.0 110.001 179.968 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 114' ' ' GLY . . . . . 0.442 ' CA ' ' HA ' ' A' ' 109' ' ' SER . . . . . . . . 0 CA--C 1.53 1.026 0 O-C-N 124.467 1.104 . . . . 0.0 111.012 180.0 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.041 0 N-CA-C 110.962 -0.855 . . . . 0.0 110.962 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -66.83 139.69 57.78 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.502 0.766 . . . . 0.0 110.0 179.984 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.6 t -146.09 92.65 2.22 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.512 1.132 . . . . 0.0 110.028 -179.96 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -52.18 119.91 10.05 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.551 1.157 . . . . 0.0 111.019 -179.955 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -164.45 120.82 1.56 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.49 0.759 . . . . 0.0 109.963 -179.975 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -121.37 28.41 7.78 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.503 1.127 . . . . 0.0 109.998 179.977 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -126.21 151.32 17.89 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.449 1.093 . . . . 0.0 110.989 179.991 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -136.62 155.16 76.95 Favored Pre-proline 0 C--N 1.325 -0.457 0 O-C-N 124.503 0.767 . . . . 0.0 109.991 179.972 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 -66.37 0.02 OUTLIER 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.482 1.78 . . . . 0.0 110.985 -179.969 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 117.83 63.06 0.31 Allowed Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.442 1.089 . . . . 0.0 111.016 179.989 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 11' ' ' ASN . . . . . 0.444 ' N ' ' OD1' ' A' ' 11' ' ' ASN . 6.2 p-10 -176.79 101.42 0.06 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.532 0.783 . . . . 0.0 109.309 -179.977 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 18.7 mmt180 -117.15 134.69 54.47 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.488 1.117 . . . . 0.0 110.277 -179.968 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 1.3 mt-10 -128.78 107.82 9.97 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.453 1.096 . . . . 0.0 110.313 179.982 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 14' ' ' ASN . . . . . 0.438 ' O ' ' HB3' ' A' ' 97' ' ' ALA . 1.1 t30 175.67 -67.31 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.496 1.122 . . . . 0.0 109.358 -179.952 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -123.89 117.68 25.39 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.517 1.136 . . . . 0.0 109.343 179.947 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . 0.406 ' HA ' ' O ' ' A' ' 95' ' ' ILE . 11.3 mt-10 67.19 110.18 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.507 1.129 . . . . 0.0 110.312 -179.98 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . 0.493 ' CE ' HD11 ' A' ' 95' ' ' ILE . 0.1 OUTLIER -130.0 147.46 51.76 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.46 1.1 . . . . 0.0 109.368 179.999 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . 0.458 ' HD3' ' CG2' ' A' ' 92' ' ' THR . 0.0 OUTLIER -98.83 118.65 36.06 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.481 1.113 . . . . 0.0 109.266 -179.923 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 0.7 OUTLIER -126.16 123.46 63.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.491 1.12 . . . . 0.0 109.285 -179.969 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 20' ' ' PHE . . . . . 0.585 ' CE2' ' OG1' ' A' ' 92' ' ' THR . 0.1 OUTLIER -106.81 113.64 27.26 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.489 1.118 . . . . 0.0 111.001 179.982 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 21' ' ' ILE . . . . . 0.493 ' CG1' HD12 ' A' ' 93' ' ' ILE . 24.8 mm -95.95 127.11 48.3 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.461 1.101 . . . . 0.0 109.345 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . 0.596 ' O ' HD11 ' A' ' 53' ' ' LEU . 0.3 OUTLIER -121.03 123.53 42.6 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.526 1.141 . . . . 0.0 110.009 -179.99 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.512 HD11 ' H ' ' A' ' 29' ' ' LEU . 4.2 mm? -93.92 50.22 1.41 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.476 1.11 . . . . 0.0 109.311 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 2.2 m -109.81 151.87 11.97 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.52 1.138 . . . . 0.0 109.292 -179.938 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 68.8 -170.6 39.86 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.506 1.129 . . . . 0.0 111.03 179.987 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -77.09 78.85 3.63 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.497 0.763 . . . . 0.0 109.97 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 6.8 mtt-85 -163.72 130.0 3.17 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.45 1.094 . . . . 0.0 110.326 179.954 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -131.17 134.85 7.91 Favored Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.556 1.16 . . . . 0.0 111.021 -179.996 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . 0.66 HD11 ' SG ' ' A' ' 31' ' ' CYS . 1.1 tp -40.16 148.35 0.08 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.457 0.739 . . . . 0.0 109.306 179.984 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -141.22 37.86 1.59 Allowed Glycine 0 CA--C 1.529 0.959 0 O-C-N 124.456 1.098 . . . . 0.0 111.01 179.976 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 31' ' ' CYS . . . . . 0.66 ' SG ' HD11 ' A' ' 29' ' ' LEU . 9.1 p -125.91 142.19 51.63 Favored 'General case' 0 C--N 1.325 -0.473 0 N-CA-C 108.313 -0.995 . . . . 0.0 108.313 179.972 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -101.04 138.85 37.54 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.497 1.123 . . . . 0.0 109.959 -179.963 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 9.6 pt -115.12 145.08 21.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.532 1.145 . . . . 0.0 109.293 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 1.3 t -130.59 169.14 16.0 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.523 1.14 . . . . 0.0 110.015 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 36.2 p -105.17 131.62 52.42 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.444 1.09 . . . . 0.0 110.029 179.973 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -76.57 170.47 54.96 Favored Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.467 1.104 . . . . 0.0 111.026 179.974 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 -174.15 1.84 Allowed 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.48 1.779 . . . . 0.0 111.004 -179.969 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 0.7 OUTLIER -71.0 -29.81 38.66 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.484 1.115 . . . . 0.0 109.302 -179.969 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 6.7 pt20 -77.27 -30.36 54.29 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.486 1.116 . . . . 0.0 110.304 -179.99 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . 0.559 ' HD3' HD11 ' A' ' 103' ' ' LEU . 24.3 tttp -139.0 62.43 26.29 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.504 1.127 . . . . 0.0 109.331 179.993 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 41' ' ' PRO . . . . . 0.454 ' HD3' ' N ' ' A' ' 40' ' ' LYS . 18.6 Cg_endo -74.92 145.31 31.6 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.502 1.791 . . . . 0.0 111.025 179.969 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 154.6 -154.81 25.78 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.502 1.126 . . . . 0.0 110.963 179.962 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 43' ' ' ILE . . . . . 0.586 HG22 HD12 ' A' ' 65' ' ' ILE . 6.7 mm -127.12 118.15 49.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.487 0.757 . . . . 0.0 109.333 -179.966 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 44' ' ' PHE . . . . . 0.567 ' CD2' ' HB2' ' A' ' 64' ' ' GLN . 2.7 m-85 -128.76 137.55 51.61 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.518 1.136 . . . . 0.0 111.03 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 45' ' ' ILE . . . . . 0.594 ' O ' ' CZ ' ' A' ' 104' ' ' PHE . 21.6 mt -63.92 140.28 19.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.581 1.176 . . . . 0.0 109.275 -179.955 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . 0.503 ' HA ' ' CE1' ' A' ' 104' ' ' PHE . 0.0 OUTLIER -107.1 -34.32 7.19 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.494 1.121 . . . . 0.0 109.958 179.99 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 47' ' ' HIS . . . . . 0.425 ' O ' ' HA ' ' A' ' 31' ' ' CYS . 24.6 t-80 -161.06 147.29 14.69 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.483 1.114 . . . . 0.0 109.574 179.997 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 48' ' ' VAL . . . . . 0.475 HG21 ' HB2' ' A' ' 54' ' ' SER . 1.3 p -150.23 127.4 2.36 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.527 0 O-C-N 124.515 1.135 . . . . 0.0 109.311 179.991 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . 0.664 ' O ' ' HB2' ' A' ' 55' ' ' ALA . 0.4 OUTLIER -67.58 154.94 92.34 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.509 1.131 . . . . 0.0 109.282 -179.991 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 -21.87 15.47 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.507 1.793 . . . . 0.0 111.002 -179.985 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -118.68 44.59 1.38 Allowed Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.504 1.128 . . . . 0.0 110.981 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 90.1 p -106.79 -172.06 2.01 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.475 0.75 . . . . 0.0 109.967 -179.963 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . 0.596 HD11 ' O ' ' A' ' 22' ' ' SER . 0.5 OUTLIER -81.69 -10.17 59.46 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.506 1.128 . . . . 0.0 109.321 179.97 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . 0.995 ' O ' HG22 ' A' ' 57' ' ' VAL . 0.7 OUTLIER -95.61 -47.47 6.21 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.517 1.136 . . . . 0.0 109.999 179.986 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . 0.664 ' HB2' ' O ' ' A' ' 49' ' ' LYS . . . -56.05 -37.14 68.86 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.452 1.095 . . . . 0.0 109.323 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . 0.609 ' HG3' HG13 ' A' ' 57' ' ' VAL . 2.7 pt-20 -57.4 -31.82 66.21 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.507 1.13 . . . . 0.0 110.297 179.962 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 57' ' ' VAL . . . . . 0.995 HG22 ' O ' ' A' ' 54' ' ' SER . 3.6 m -89.12 -22.43 6.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.457 1.098 . . . . 0.0 109.297 -179.968 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 102.45 32.51 4.83 Favored Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.519 1.137 . . . . 0.0 110.973 179.961 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . 0.569 HD12 ' HB3' ' A' ' 54' ' ' SER . 12.5 mt -80.0 141.99 35.42 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.52 0.777 . . . . 0.0 109.326 179.935 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 17.0 mt-10 -142.91 172.97 11.98 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.484 1.115 . . . . 0.0 110.289 -179.966 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 25.1 mt -67.93 129.46 32.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.513 1.133 . . . . 0.0 109.263 179.976 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 116.81 -21.33 11.34 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.51 1.131 . . . . 0.0 111.035 179.98 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . 0.639 ' CG ' HD13 ' A' ' 95' ' ' ILE . 74.1 m-20 -65.98 98.33 0.42 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.507 0.769 . . . . 0.0 109.333 179.967 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 64' ' ' GLN . . . . . 0.567 ' HB2' ' CD2' ' A' ' 44' ' ' PHE . 49.3 tt0 -83.08 120.66 26.04 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.554 1.159 . . . . 0.0 110.261 -179.951 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 65' ' ' ILE . . . . . 0.611 ' CG2' ' CG2' ' A' ' 68' ' ' VAL . 28.5 mt -71.72 106.2 2.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.474 1.109 . . . . 0.0 109.319 179.984 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . 0.901 HG22 ' O ' ' A' ' 94' ' ' SER . 15.0 m -95.36 -23.37 5.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.472 1.108 . . . . 0.0 109.29 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . 0.418 ' HG2' ' N ' ' A' ' 68' ' ' VAL . 33.3 tt0 -153.16 152.81 31.67 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.512 1.132 . . . . 0.0 110.289 179.991 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 68' ' ' VAL . . . . . 0.718 ' O ' HG23 ' A' ' 71' ' ' VAL . 87.6 t -148.67 114.39 0.8 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.529 1.143 . . . . 0.0 109.269 -179.973 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 69' ' ' ASN . . . . . 0.856 ' ND2' HD23 ' A' ' 91' ' ' LEU . 1.5 t-20 57.8 18.05 4.61 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.533 1.146 . . . . 0.0 109.287 179.992 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 99.73 2.67 56.28 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.561 1.163 . . . . 0.0 111.006 179.98 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 71' ' ' VAL . . . . . 0.804 HG21 HG11 ' A' ' 84' ' ' VAL . 48.1 t -77.35 150.02 5.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.501 0.765 . . . . 0.0 109.285 -179.959 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -87.96 88.43 7.65 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.53 1.144 . . . . 0.0 109.317 -179.968 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 73' ' ' PHE . . . . . 0.897 ' CD1' HD12 ' A' ' 76' ' ' LEU . 3.2 m-85 -87.99 38.74 0.86 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.525 1.141 . . . . 0.0 111.013 -179.988 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 12.1 t -75.13 -61.67 1.81 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.452 1.095 . . . . 0.0 110.036 179.985 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 1.2 p30 -121.52 48.54 1.66 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.519 1.137 . . . . 0.0 109.274 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 76' ' ' LEU . . . . . 0.897 HD12 ' CD1' ' A' ' 73' ' ' PHE . 6.5 mt -76.6 -167.04 0.74 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.488 1.118 . . . . 0.0 109.28 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 39.1 t70 -136.73 171.12 14.97 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.524 1.14 . . . . 0.0 109.276 -179.982 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 78' ' ' HIS . . . . . . . . . . . . . 63.3 t-80 -71.91 -7.17 46.97 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.497 1.123 . . . . 0.0 109.566 -179.975 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 18.8 mttt -107.29 -34.93 6.95 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.551 1.157 . . . . 0.0 109.288 179.998 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 80' ' ' GLU . . . . . 0.711 ' CB ' HD22 ' A' ' 76' ' ' LEU . 2.3 mm-40 -80.41 -37.64 31.76 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.501 1.126 . . . . 0.0 110.321 179.99 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 81' ' ' ALA . . . . . 0.601 ' O ' HD12 ' A' ' 85' ' ' LEU . . . -72.99 -28.7 62.53 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.463 1.102 . . . . 0.0 109.321 179.983 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 82' ' ' VAL . . . . . 0.594 HG12 ' HE2' ' A' ' 86' ' ' LYS . 36.1 t -81.46 -40.27 17.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.503 1.127 . . . . 0.0 109.299 -179.975 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 83' ' ' ASN . . . . . 0.431 ' HA ' ' CE ' ' A' ' 86' ' ' LYS . 2.1 t30 -61.69 -42.89 99.55 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.458 1.099 . . . . 0.0 109.325 179.935 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 84' ' ' VAL . . . . . 0.804 HG11 HG21 ' A' ' 71' ' ' VAL . 66.1 t -71.55 -32.31 45.49 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.499 1.125 . . . . 0.0 109.306 -179.983 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 85' ' ' LEU . . . . . 0.601 HD12 ' O ' ' A' ' 81' ' ' ALA . 24.9 mt -75.14 -34.14 61.61 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.487 1.117 . . . . 0.0 109.279 -179.991 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 86' ' ' LYS . . . . . 0.594 ' HE2' HG12 ' A' ' 82' ' ' VAL . 1.4 ptpt -89.41 -4.19 58.11 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.478 1.112 . . . . 0.0 109.288 -179.959 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 1.5 t -52.75 -66.47 0.38 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.52 1.137 . . . . 0.0 109.973 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 1.1 t -123.54 179.96 4.57 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.502 1.126 . . . . 0.0 109.996 -179.969 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 4.6 mmt180 -81.63 -56.18 4.18 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.52 1.138 . . . . 0.0 110.298 179.965 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 3.6 m -86.02 121.28 28.41 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.52 1.138 . . . . 0.0 109.977 -179.958 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 91' ' ' LEU . . . . . 0.856 HD23 ' ND2' ' A' ' 69' ' ' ASN . 1.2 mt -138.52 146.15 41.6 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.535 1.147 . . . . 0.0 109.321 179.962 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 92' ' ' THR . . . . . 0.585 ' OG1' ' CE2' ' A' ' 20' ' ' PHE . 76.2 m -104.32 101.92 11.62 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.526 1.141 . . . . 0.0 110.398 -179.986 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 93' ' ' ILE . . . . . 0.51 HG23 HG23 ' A' ' 65' ' ' ILE . 13.3 mt -89.95 133.6 31.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.503 1.127 . . . . 0.0 109.277 -179.973 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 94' ' ' SER . . . . . 0.901 ' O ' HG22 ' A' ' 66' ' ' VAL . 0.3 OUTLIER -117.95 104.29 10.76 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.491 1.12 . . . . 0.0 109.98 -179.98 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 95' ' ' ILE . . . . . 0.639 HD13 ' CG ' ' A' ' 63' ' ' ASP . 1.4 pt -104.22 173.86 1.3 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.54 1.15 . . . . 0.0 109.319 179.992 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 96' ' ' VAL . . . . . 0.92 ' HB ' ' HB2' ' A' ' 99' ' ' ALA . 74.3 t -112.45 33.97 0.97 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.48 1.112 . . . . 0.0 109.275 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 97' ' ' ALA . . . . . 0.438 ' HB3' ' O ' ' A' ' 14' ' ' ASN . . . 43.41 93.25 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.473 1.108 . . . . 0.0 109.27 179.987 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 98' ' ' ALA . . . . . 0.546 ' CB ' ' NH1' ' A' ' 101' ' ' ARG . . . 51.12 56.65 7.65 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.486 1.116 . . . . 0.0 109.324 -179.979 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 99' ' ' ALA . . . . . 0.92 ' HB2' ' HB ' ' A' ' 96' ' ' VAL . . . -61.63 -67.45 0.41 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.517 1.135 . . . . 0.0 109.3 -179.959 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . -106.65 60.33 0.36 Allowed Glycine 0 CA--C 1.531 1.041 0 O-C-N 124.527 1.142 . . . . 0.0 111.012 179.979 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 101' ' ' ARG . . . . . 0.546 ' NH1' ' CB ' ' A' ' 98' ' ' ALA . 0.0 OUTLIER -70.81 -24.77 62.62 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.513 0.772 . . . . 0.0 110.316 179.983 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -71.4 -5.7 34.68 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.532 1.145 . . . . 0.0 110.261 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 103' ' ' LEU . . . . . 0.559 HD11 ' HD3' ' A' ' 40' ' ' LYS . 30.6 mt -79.16 -17.3 55.21 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.541 1.15 . . . . 0.0 109.322 179.978 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 104' ' ' PHE . . . . . 0.594 ' CZ ' ' O ' ' A' ' 45' ' ' ILE . 52.3 m-85 -122.81 48.09 1.84 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.451 1.094 . . . . 0.0 111.041 179.973 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 105' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -67.9 -74.6 0.12 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.512 1.133 . . . . 0.0 110.993 -179.972 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 13.2 t -59.38 168.77 1.4 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.507 1.129 . . . . 0.0 110.399 179.98 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 8.3 t70 -98.09 173.04 7.23 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.492 1.12 . . . . 0.0 109.316 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 4.0 ttt180 -168.9 106.84 0.44 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.499 1.124 . . . . 0.0 110.303 179.991 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 39.6 t -103.01 124.54 48.71 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.529 1.143 . . . . 0.0 110.006 179.974 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . -105.98 146.49 16.08 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.52 1.137 . . . . 0.0 111.019 179.969 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 111' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.92 -177.48 3.48 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.534 1.807 . . . . 0.0 111.037 179.972 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 28.8 t -126.99 145.93 50.53 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.515 1.135 . . . . 0.0 109.995 179.982 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -55.97 133.09 51.4 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.498 1.124 . . . . 0.0 110.025 179.977 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.975 0 O-C-N 124.503 1.127 . . . . 0.0 110.987 -179.98 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.996 0 N-CA-C 110.979 -0.848 . . . . 0.0 110.979 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -80.92 100.15 8.74 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.496 0.762 . . . . 0.0 109.984 179.983 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -168.77 -58.62 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.471 1.107 . . . . 0.0 109.994 179.962 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 46.01 79.5 0.06 OUTLIER Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.466 1.103 . . . . 0.0 110.985 -179.954 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 28.7 t -117.78 83.02 1.92 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.518 0.775 . . . . 0.0 109.995 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 2.4 t -106.34 29.15 7.08 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.483 1.115 . . . . 0.0 109.967 -179.988 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 124.76 -73.21 0.42 Allowed Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.488 1.117 . . . . 0.0 111.025 -179.98 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 16.3 m -128.49 152.59 78.6 Favored Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.455 0.738 . . . . 0.0 110.025 179.973 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 127.12 10.44 Favored 'Trans proline' 0 C--N 1.36 1.132 0 O-C-N 124.545 1.813 . . . . 0.0 111.001 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 152.7 91.89 0.09 OUTLIER Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.477 1.111 . . . . 0.0 110.964 -179.996 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 3.4 t-20 -157.35 109.68 2.43 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.495 0.762 . . . . 0.0 109.32 179.98 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -176.1 108.72 0.09 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.52 1.137 . . . . 0.0 110.256 -179.969 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 42.2 tt0 -173.4 123.83 0.39 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.495 1.122 . . . . 0.0 110.304 179.976 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 2.8 t-20 -178.7 -61.77 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.509 1.131 . . . . 0.0 109.325 179.976 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -98.97 171.06 8.28 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.486 1.116 . . . . 0.0 109.273 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . 0.401 ' HG3' HG22 ' A' ' 96' ' ' VAL . 17.6 mt-10 46.22 91.17 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.52 1.138 . . . . 0.0 110.29 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . 0.653 ' HE3' HD11 ' A' ' 95' ' ' ILE . 0.6 OUTLIER -112.29 154.78 25.14 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.537 1.148 . . . . 0.0 109.315 179.962 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -105.27 118.76 37.37 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.495 1.122 . . . . 0.0 109.263 -179.956 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . 0.437 HG23 ' O ' ' A' ' 93' ' ' ILE . 0.0 OUTLIER -120.12 124.6 73.0 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.438 1.086 . . . . 0.0 109.254 -179.988 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 20' ' ' PHE . . . . . 0.479 ' CD1' ' O ' ' A' ' 91' ' ' LEU . 0.1 OUTLIER -101.73 112.11 24.59 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.466 1.104 . . . . 0.0 111.045 179.938 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 21' ' ' ILE . . . . . 0.4 HG23 ' HG ' ' A' ' 53' ' ' LEU . 20.2 mm -99.11 121.65 49.95 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.507 1.129 . . . . 0.0 109.348 -179.997 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . 0.58 ' OG ' HG13 ' A' ' 24' ' ' VAL . 12.3 t -110.93 140.75 45.16 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.491 1.12 . . . . 0.0 109.991 -179.983 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.419 HD22 ' C ' ' A' ' 22' ' ' SER . 4.2 mm? -113.25 51.45 0.84 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.497 1.123 . . . . 0.0 109.27 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . 0.58 HG13 ' OG ' ' A' ' 22' ' ' SER . 3.4 m -108.61 152.44 10.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.542 1.151 . . . . 0.0 109.334 179.971 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 69.45 -167.54 47.1 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.571 1.169 . . . . 0.0 111.003 -179.941 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 6.1 t -77.85 62.39 2.67 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.51 0.771 . . . . 0.0 110.015 179.995 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . 0.432 ' NH1' ' OE1' ' A' ' 56' ' ' GLU . 11.3 mtt180 -137.32 136.16 37.72 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.47 1.106 . . . . 0.0 110.298 179.988 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -140.58 131.82 5.17 Favored Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.557 1.161 . . . . 0.0 110.99 179.988 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . 0.51 HD11 ' SG ' ' A' ' 31' ' ' CYS . 2.2 tp -40.48 128.21 2.43 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.521 0.777 . . . . 0.0 109.303 -179.99 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -118.83 28.32 6.75 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.516 1.135 . . . . 0.0 111.017 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 31' ' ' CYS . . . . . 0.51 ' SG ' HD11 ' A' ' 29' ' ' LEU . 28.7 p -121.56 147.4 45.87 Favored 'General case' 0 C--N 1.325 -0.48 0 N-CA-C 108.319 -0.993 . . . . 0.0 108.319 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -111.14 141.35 44.76 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.55 1.156 . . . . 0.0 109.987 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 33' ' ' ILE . . . . . 0.564 HD11 HG23 ' A' ' 82' ' ' VAL . 11.3 pt -109.4 145.24 16.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.453 1.095 . . . . 0.0 109.276 -179.966 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 48.5 m -126.86 152.58 46.83 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.523 1.14 . . . . 0.0 109.999 -179.999 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 11.2 p -80.19 150.24 30.21 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.497 1.123 . . . . 0.0 109.968 -179.977 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -103.21 163.27 15.82 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.54 1.15 . . . . 0.0 110.977 -179.966 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.04 -170.2 0.75 Allowed 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.463 1.77 . . . . 0.0 111.007 179.963 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 5.5 tt -74.04 -29.75 26.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.458 1.099 . . . . 0.0 109.307 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 11.8 pt20 -79.35 -28.66 42.03 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.522 1.139 . . . . 0.0 110.288 179.977 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . 0.78 ' HG2' HD11 ' A' ' 103' ' ' LEU . 0.0 OUTLIER -136.41 61.56 38.82 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.541 1.151 . . . . 0.0 109.302 179.984 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 41' ' ' PRO . . . . . 0.475 ' HD3' ' N ' ' A' ' 40' ' ' LYS . 18.3 Cg_endo -75.0 146.64 32.88 Favored 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.479 1.778 . . . . 0.0 111.0 179.988 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 138.83 -164.67 25.74 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.523 1.139 . . . . 0.0 111.017 179.998 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 43' ' ' ILE . . . . . 0.498 ' CG2' HD12 ' A' ' 65' ' ' ILE . 30.3 mm -107.84 125.93 64.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.527 0.78 . . . . 0.0 109.296 179.981 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 44' ' ' PHE . . . . . 0.57 ' CD2' ' HB2' ' A' ' 64' ' ' GLN . 19.4 m-85 -133.55 128.7 35.82 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.523 1.139 . . . . 0.0 111.03 179.956 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 45' ' ' ILE . . . . . 0.58 ' O ' ' CE2' ' A' ' 104' ' ' PHE . 5.1 mt -57.7 151.97 3.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.46 1.1 . . . . 0.0 109.249 -179.982 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 5.4 p -120.49 -40.87 2.63 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.468 1.105 . . . . 0.0 110.042 179.961 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 65.3 t-80 -146.72 157.42 43.69 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.517 1.136 . . . . 0.0 109.556 179.986 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 37.4 t -143.35 120.16 5.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.457 1.098 . . . . 0.0 109.304 179.973 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 21.3 mttt -67.75 156.53 88.92 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.496 1.123 . . . . 0.0 109.319 179.96 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.07 120.12 5.91 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.439 1.758 . . . . 0.0 110.963 -179.968 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 73.73 20.96 79.81 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.511 1.132 . . . . 0.0 111.015 -179.977 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 52' ' ' SER . . . . . 0.484 ' H ' ' HB3' ' A' ' 55' ' ' ALA . 1.3 p -70.1 -157.81 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.526 0.78 . . . . 0.0 109.994 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . 0.502 HD13 ' HA ' ' A' ' 53' ' ' LEU . 0.0 OUTLIER -82.98 -27.08 30.71 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.573 1.171 . . . . 0.0 109.335 179.978 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . 0.465 ' CB ' ' HB2' ' A' ' 59' ' ' LEU . 0.0 OUTLIER -94.61 -28.86 15.16 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.527 1.142 . . . . 0.0 110.03 179.966 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . 0.484 ' HB3' ' H ' ' A' ' 52' ' ' SER . . . -73.82 -10.83 60.07 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.5 1.125 . . . . 0.0 109.294 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . 0.553 ' HG3' HG13 ' A' ' 57' ' ' VAL . 2.9 pt-20 -90.59 -34.56 15.44 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.522 1.139 . . . . 0.0 110.286 179.993 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 57' ' ' VAL . . . . . 0.553 HG13 ' HG3' ' A' ' 56' ' ' GLU . 2.2 m -84.79 -23.86 7.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.508 1.13 . . . . 0.0 109.28 -179.988 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 106.71 23.97 6.91 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.501 1.126 . . . . 0.0 111.003 -179.977 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . 0.48 HD23 ' OD2' ' A' ' 63' ' ' ASP . 13.5 mt -81.08 137.61 35.99 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.508 0.77 . . . . 0.0 109.325 179.97 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 19.5 mt-10 -140.53 173.07 11.86 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.548 1.155 . . . . 0.0 110.328 179.953 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 67.1 mt -56.4 130.7 19.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.521 1.138 . . . . 0.0 109.302 179.962 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 116.37 -36.53 3.76 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.511 1.132 . . . . 0.0 110.98 180.0 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . 0.529 ' CG ' HD13 ' A' ' 95' ' ' ILE . 82.1 m-20 -56.15 98.56 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.484 0.755 . . . . 0.0 109.326 -179.981 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 64' ' ' GLN . . . . . 0.609 ' HB3' ' HB3' ' A' ' 99' ' ' ALA . 4.7 tt0 -83.47 134.48 34.85 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.523 1.14 . . . . 0.0 110.319 -179.986 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 65' ' ' ILE . . . . . 0.764 HG23 HG23 ' A' ' 93' ' ' ILE . 26.6 mt -87.11 110.64 20.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.485 1.116 . . . . 0.0 109.307 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . 0.66 HG22 ' O ' ' A' ' 94' ' ' SER . 17.3 m -102.08 -22.19 4.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.493 1.12 . . . . 0.0 109.352 179.947 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . 0.415 ' HG2' ' N ' ' A' ' 68' ' ' VAL . 25.0 tt0 -153.05 147.13 25.52 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.519 1.137 . . . . 0.0 110.281 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 68' ' ' VAL . . . . . 0.744 ' O ' HG23 ' A' ' 71' ' ' VAL . 98.5 t -145.73 129.11 10.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.491 1.12 . . . . 0.0 109.285 -179.967 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 69' ' ' ASN . . . . . 0.776 HD22 HD23 ' A' ' 91' ' ' LEU . 1.1 t-20 43.92 31.8 0.54 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.506 1.129 . . . . 0.0 109.32 179.971 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 77.66 41.08 20.64 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.499 1.124 . . . . 0.0 111.039 -179.928 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 71' ' ' VAL . . . . . 0.744 HG23 ' O ' ' A' ' 68' ' ' VAL . 64.2 t -115.46 157.51 16.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.494 0.761 . . . . 0.0 109.308 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 2.0 t0 -91.51 88.69 6.89 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.51 1.131 . . . . 0.0 109.325 179.975 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 73' ' ' PHE . . . . . 0.872 ' CD1' HD12 ' A' ' 76' ' ' LEU . 3.3 m-85 -90.78 21.72 3.95 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.467 1.104 . . . . 0.0 110.96 -179.963 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -74.79 -50.65 16.47 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.535 1.147 . . . . 0.0 109.976 -179.977 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 66.4 m-80 -119.64 50.22 1.28 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.469 1.105 . . . . 0.0 109.293 179.985 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 76' ' ' LEU . . . . . 0.872 HD12 ' CD1' ' A' ' 73' ' ' PHE . 7.0 mt -92.58 -167.43 1.75 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.506 1.129 . . . . 0.0 109.31 179.976 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 28.1 t70 -133.99 170.92 14.92 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.499 1.124 . . . . 0.0 109.339 179.982 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 78' ' ' HIS . . . . . . . . . . . . . 37.9 t-80 -70.61 -7.19 42.27 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.497 1.123 . . . . 0.0 109.566 -179.96 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -107.72 -39.24 5.64 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.498 1.124 . . . . 0.0 109.285 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 80' ' ' GLU . . . . . 0.828 ' O ' HG23 ' A' ' 84' ' ' VAL . 5.1 mt-10 -75.94 -41.02 52.88 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.531 1.144 . . . . 0.0 110.3 179.988 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 81' ' ' ALA . . . . . 0.527 ' HA ' HD13 ' A' ' 76' ' ' LEU . . . -66.07 -24.11 66.66 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.481 1.113 . . . . 0.0 109.342 179.988 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 82' ' ' VAL . . . . . 0.564 HG23 HD11 ' A' ' 33' ' ' ILE . 35.5 t -89.92 -50.33 13.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.526 1.141 . . . . 0.0 109.265 179.974 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 2.0 m-20 -50.01 -41.2 46.71 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.516 1.135 . . . . 0.0 109.267 -179.957 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 84' ' ' VAL . . . . . 0.828 HG23 ' O ' ' A' ' 80' ' ' GLU . 75.4 t -65.92 -25.11 35.36 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.496 1.122 . . . . 0.0 109.294 -179.969 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 85' ' ' LEU . . . . . 0.464 ' N ' ' O ' ' A' ' 82' ' ' VAL . 55.7 mt -80.75 -34.63 34.19 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.542 1.152 . . . . 0.0 109.298 -179.975 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 86' ' ' LYS . . . . . 0.491 ' CE ' ' CG1' ' A' ' 82' ' ' VAL . 4.0 mttm -74.11 -24.93 59.52 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.517 1.136 . . . . 0.0 109.316 179.984 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 87' ' ' SER . . . . . 0.444 ' C ' ' O ' ' A' ' 86' ' ' LYS . 15.1 t -35.3 -70.78 0.08 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.522 1.139 . . . . 0.0 110.01 179.978 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -125.82 -171.58 2.41 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.46 1.1 . . . . 0.0 109.966 -179.956 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 4.2 mmt180 -93.93 -52.53 4.38 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.457 1.098 . . . . 0.0 110.315 -179.998 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -86.65 109.74 19.38 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.435 1.084 . . . . 0.0 109.99 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 91' ' ' LEU . . . . . 0.776 HD23 HD22 ' A' ' 69' ' ' ASN . 1.1 mp -128.53 153.75 46.86 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.489 1.118 . . . . 0.0 109.346 179.965 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 3.3 m -110.28 100.03 8.97 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.501 1.125 . . . . 0.0 110.393 -179.967 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 93' ' ' ILE . . . . . 0.764 HG23 HG23 ' A' ' 65' ' ' ILE . 11.5 mt -89.56 132.17 34.97 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.451 1.094 . . . . 0.0 109.316 179.985 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 94' ' ' SER . . . . . 0.66 ' O ' HG22 ' A' ' 66' ' ' VAL . 0.5 OUTLIER -111.7 101.44 9.81 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.478 1.111 . . . . 0.0 110.001 -179.988 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 95' ' ' ILE . . . . . 0.653 HD11 ' HE3' ' A' ' 17' ' ' LYS . 1.1 pt -100.59 166.68 2.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.573 1.171 . . . . 0.0 109.253 -179.981 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 96' ' ' VAL . . . . . 0.879 ' HB ' ' HB2' ' A' ' 99' ' ' ALA . 74.4 t -108.33 32.85 0.79 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.547 1.154 . . . . 0.0 109.287 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 97' ' ' ALA . . . . . 0.559 ' HB2' ' HE2' ' A' ' 17' ' ' LYS . . . 46.09 94.02 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.512 1.133 . . . . 0.0 109.33 179.962 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 98' ' ' ALA . . . . . 0.603 ' HB1' ' HG3' ' A' ' 101' ' ' ARG . . . 48.42 56.89 6.84 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.491 1.119 . . . . 0.0 109.242 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 99' ' ' ALA . . . . . 0.879 ' HB2' ' HB ' ' A' ' 96' ' ' VAL . . . -60.28 -74.69 0.07 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.488 1.118 . . . . 0.0 109.34 179.939 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . -97.81 55.38 1.18 Allowed Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.497 1.123 . . . . 0.0 111.062 179.949 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 101' ' ' ARG . . . . . 0.603 ' HG3' ' HB1' ' A' ' 98' ' ' ALA . 0.0 OUTLIER -63.82 -42.33 97.69 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.468 0.746 . . . . 0.0 110.279 -179.96 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 7.9 pt-20 -42.44 -35.48 1.05 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.468 1.105 . . . . 0.0 110.283 -179.966 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 103' ' ' LEU . . . . . 0.78 HD11 ' HG2' ' A' ' 40' ' ' LYS . 73.5 mt -46.39 -43.57 16.4 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.53 1.144 . . . . 0.0 109.246 -179.988 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 104' ' ' PHE . . . . . 0.58 ' CE2' ' O ' ' A' ' 45' ' ' ILE . 6.1 m-85 -113.13 61.76 0.64 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.507 1.129 . . . . 0.0 111.021 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 105' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -104.82 50.72 0.78 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.487 1.117 . . . . 0.0 111.028 179.973 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 13.2 t -133.68 160.05 38.69 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.451 1.094 . . . . 0.0 110.411 179.992 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -102.69 -50.76 3.47 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.47 1.106 . . . . 0.0 109.337 179.985 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 1.9 mmt85 -45.67 143.96 1.82 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.464 1.103 . . . . 0.0 110.294 -179.971 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 3.8 t -160.28 -56.9 0.06 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.526 1.141 . . . . 0.0 110.01 -179.97 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 156.87 145.23 4.14 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.527 1.142 . . . . 0.0 110.976 179.985 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 111' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 56.72 4.33 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.464 1.77 . . . . 0.0 110.994 179.968 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 41.51 79.57 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.482 1.114 . . . . 0.0 110.011 180.0 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 16.1 m -40.68 -64.85 0.48 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.461 1.1 . . . . 0.0 110.034 -179.981 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.017 0 O-C-N 124.511 1.132 . . . . 0.0 110.969 -179.989 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.993 0 N-CA-C 110.987 -0.845 . . . . 0.0 110.987 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -178.55 134.69 0.14 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.495 0.762 . . . . 0.0 109.984 -179.982 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER 179.12 167.7 0.98 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.448 1.092 . . . . 0.0 109.998 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 146.34 98.71 0.23 Allowed Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.507 1.13 . . . . 0.0 110.971 179.951 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 4.2 t 175.21 107.73 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.516 0.774 . . . . 0.0 110.006 179.97 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -98.59 -28.29 13.63 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.516 1.135 . . . . 0.0 110.003 -179.988 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 48.6 97.61 0.01 OUTLIER Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.525 1.141 . . . . 0.0 111.031 -179.998 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -107.14 135.78 19.57 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.556 0.798 . . . . 0.0 109.999 179.984 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.97 178.68 6.93 Favored 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.5 1.789 . . . . 0.0 111.025 179.948 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 124.89 123.62 2.74 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.481 1.113 . . . . 0.0 110.964 179.962 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 72.6 m-80 -163.35 124.69 2.41 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.497 0.763 . . . . 0.0 109.32 179.954 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 4.3 mtp180 -177.11 140.68 0.31 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.524 1.14 . . . . 0.0 110.296 -179.979 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 1.8 mt-10 -176.92 141.87 0.36 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.502 1.126 . . . . 0.0 110.331 179.952 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER 171.51 -58.36 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.523 1.14 . . . . 0.0 109.344 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 4.1 mttt -85.19 170.59 12.72 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.526 1.141 . . . . 0.0 109.301 179.973 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . 0.413 ' HG3' HG22 ' A' ' 96' ' ' VAL . 17.9 mt-10 49.01 95.41 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.438 1.086 . . . . 0.0 110.279 179.97 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . 0.74 ' HE3' HD11 ' A' ' 95' ' ' ILE . 0.6 OUTLIER -118.57 146.73 44.37 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.519 1.137 . . . . 0.0 109.295 179.995 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -94.98 129.83 41.89 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.498 1.124 . . . . 0.0 109.316 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -131.86 118.24 37.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.515 1.134 . . . . 0.0 109.253 -179.943 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -95.83 112.76 24.41 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.516 1.135 . . . . 0.0 111.027 179.974 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 21' ' ' ILE . . . . . 0.538 ' CG1' HD12 ' A' ' 93' ' ' ILE . 33.3 mm -96.68 120.61 46.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.46 1.1 . . . . 0.0 109.289 -179.973 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . 0.964 ' O ' HD11 ' A' ' 53' ' ' LEU . 6.4 t -112.26 109.01 18.43 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.537 1.148 . . . . 0.0 110.015 179.979 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.521 ' CD2' HG22 ' A' ' 21' ' ' ILE . 3.3 mm? -77.63 61.0 2.27 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.422 1.076 . . . . 0.0 109.294 -179.993 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 3.5 m -126.65 163.3 29.25 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.553 1.158 . . . . 0.0 109.28 -179.986 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 55.47 -171.87 1.49 Allowed Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.548 1.155 . . . . 0.0 111.007 179.97 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 58.3 p -63.85 82.57 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.492 0.76 . . . . 0.0 109.97 -179.984 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 171.22 110.56 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.49 1.119 . . . . 0.0 110.303 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . 0.446 ' HA2' ' CD1' ' A' ' 23' ' ' LEU . . . -122.3 33.15 4.27 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.462 1.101 . . . . 0.0 111.005 -179.994 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . 0.401 ' CB ' ' O ' ' A' ' 28' ' ' GLY . 0.9 OUTLIER 80.96 121.93 0.05 OUTLIER 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.511 0.771 . . . . 0.0 109.342 -179.957 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -120.52 22.66 8.21 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.527 1.142 . . . . 0.0 111.014 -179.957 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 26.7 p -111.18 166.79 10.78 Favored 'General case' 0 C--N 1.325 -0.472 0 N-CA-C 108.29 -1.004 . . . . 0.0 108.29 179.983 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -124.81 142.05 51.69 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.508 1.13 . . . . 0.0 110.001 -179.994 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 33' ' ' ILE . . . . . 0.465 HD11 ' CG2' ' A' ' 82' ' ' VAL . 6.6 pt -116.51 149.38 18.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.502 1.126 . . . . 0.0 109.296 179.953 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -137.87 169.64 17.43 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.477 1.111 . . . . 0.0 110.006 179.978 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 78.2 p -93.32 143.38 26.33 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.481 1.113 . . . . 0.0 109.976 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -94.43 165.13 26.01 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.511 1.132 . . . . 0.0 110.994 179.974 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.96 -169.12 0.58 Allowed 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.497 1.788 . . . . 0.0 111.006 179.988 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 0.7 OUTLIER -75.1 -30.29 23.03 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.448 1.093 . . . . 0.0 109.316 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 12.4 pt20 -78.64 -28.92 45.59 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.509 1.131 . . . . 0.0 110.3 -179.985 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . 0.473 ' N ' ' HD3' ' A' ' 41' ' ' PRO . 0.0 OUTLIER -136.44 61.76 39.69 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.473 1.108 . . . . 0.0 109.283 -179.992 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 41' ' ' PRO . . . . . 0.473 ' HD3' ' N ' ' A' ' 40' ' ' LYS . 18.2 Cg_endo -75.07 144.97 30.65 Favored 'Trans proline' 0 C--N 1.36 1.132 0 O-C-N 124.489 1.784 . . . . 0.0 110.956 -179.97 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 142.71 -157.62 26.79 Favored Glycine 0 CA--C 1.531 1.044 0 O-C-N 124.517 1.136 . . . . 0.0 110.977 179.972 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 43' ' ' ILE . . . . . 0.411 ' O ' ' N ' ' A' ' 65' ' ' ILE . 20.5 mm -117.08 126.14 74.3 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.506 0.768 . . . . 0.0 109.305 -179.987 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 44' ' ' PHE . . . . . 0.585 ' CD2' ' HB2' ' A' ' 64' ' ' GLN . 2.0 m-85 -133.94 139.17 45.95 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.469 1.105 . . . . 0.0 110.988 -179.977 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 45' ' ' ILE . . . . . 0.426 ' O ' ' CZ ' ' A' ' 104' ' ' PHE . 12.9 mt -67.97 141.69 17.36 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.462 1.101 . . . . 0.0 109.278 179.984 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . 0.549 ' HA ' ' CE2' ' A' ' 104' ' ' PHE . 1.0 OUTLIER -103.78 -37.13 7.59 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.543 1.152 . . . . 0.0 109.955 -179.998 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 66.5 t-80 -153.99 163.37 40.17 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.487 1.117 . . . . 0.0 109.559 -179.972 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 55.9 t -144.87 125.28 7.48 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.477 1.111 . . . . 0.0 109.291 179.994 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 7.4 mttp -73.21 155.32 90.11 Favored Pre-proline 0 C--N 1.326 -0.442 0 O-C-N 124.442 1.089 . . . . 0.0 109.326 179.995 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.95 123.38 7.86 Favored 'Trans proline' 0 C--N 1.36 1.133 0 O-C-N 124.444 1.76 . . . . 0.0 110.995 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 72.73 22.08 79.26 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.523 1.139 . . . . 0.0 110.973 -180.0 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 30.0 p -73.71 -173.96 1.63 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.478 0.752 . . . . 0.0 109.972 -179.975 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . 0.964 HD11 ' O ' ' A' ' 22' ' ' SER . 0.4 OUTLIER -76.55 -18.13 58.85 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.551 1.157 . . . . 0.0 109.276 -179.952 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . 0.838 ' O ' HG22 ' A' ' 57' ' ' VAL . 0.1 OUTLIER -95.04 -34.2 12.42 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.55 1.156 . . . . 0.0 109.992 -179.975 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -71.05 -36.74 72.43 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.541 1.151 . . . . 0.0 109.322 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . 0.577 ' HG3' HG13 ' A' ' 57' ' ' VAL . 4.7 pt-20 -57.22 -31.92 65.99 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.487 1.117 . . . . 0.0 110.304 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 57' ' ' VAL . . . . . 0.838 HG22 ' O ' ' A' ' 54' ' ' SER . 13.5 m -86.82 -25.71 6.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.476 1.11 . . . . 0.0 109.308 -179.977 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 102.9 41.92 2.2 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.534 1.146 . . . . 0.0 110.979 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . 0.503 ' HG ' HG23 ' A' ' 57' ' ' VAL . 25.3 mt -93.12 140.51 29.43 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.515 0.773 . . . . 0.0 109.324 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 13.4 mt-10 -135.38 173.62 11.52 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.496 1.123 . . . . 0.0 110.313 179.979 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 47.9 mt -64.28 126.34 22.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.446 1.091 . . . . 0.0 109.244 -179.964 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 62' ' ' GLY . . . . . 0.4 ' O ' ' N ' ' A' ' 64' ' ' GLN . . . 122.17 -35.48 3.49 Favored Glycine 0 CA--C 1.529 0.959 0 O-C-N 124.528 1.142 . . . . 0.0 111.048 179.995 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . 0.563 ' CG ' HD13 ' A' ' 95' ' ' ILE . 75.9 m-20 -49.85 96.33 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.468 0.746 . . . . 0.0 109.282 179.995 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 64' ' ' GLN . . . . . 0.585 ' HB2' ' CD2' ' A' ' 44' ' ' PHE . 40.7 tt0 -83.11 117.34 22.8 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.529 1.143 . . . . 0.0 110.321 179.954 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 65' ' ' ILE . . . . . 0.802 HG23 HG23 ' A' ' 93' ' ' ILE . 42.3 mt -71.05 106.65 1.94 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.5 1.125 . . . . 0.0 109.288 -179.974 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . 0.823 HG22 ' O ' ' A' ' 94' ' ' SER . 14.9 m -95.22 -23.34 5.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.482 1.114 . . . . 0.0 109.309 179.95 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . 0.424 ' HG2' ' N ' ' A' ' 68' ' ' VAL . 36.3 tt0 -151.83 156.37 40.04 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.521 1.138 . . . . 0.0 110.305 179.948 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 68' ' ' VAL . . . . . 0.745 ' O ' HG23 ' A' ' 71' ' ' VAL . 75.2 t -151.98 120.03 0.76 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.474 1.109 . . . . 0.0 109.328 -179.981 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 69' ' ' ASN . . . . . 0.831 ' ND2' HD23 ' A' ' 91' ' ' LEU . 1.2 t-20 51.78 23.82 2.2 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.453 1.095 . . . . 0.0 109.286 -179.964 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 88.96 21.34 42.82 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.552 1.158 . . . . 0.0 110.952 179.949 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 71' ' ' VAL . . . . . 0.745 HG23 ' O ' ' A' ' 68' ' ' VAL . 63.9 t -94.68 146.13 7.16 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.443 0.731 . . . . 0.0 109.285 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 8.3 t0 -82.48 86.27 6.79 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.511 1.132 . . . . 0.0 109.282 -179.989 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 73' ' ' PHE . . . . . 0.782 ' CD1' HD12 ' A' ' 76' ' ' LEU . 3.4 m-85 -88.65 29.67 0.98 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.461 1.101 . . . . 0.0 110.978 -179.986 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 3.1 t -71.87 -68.81 0.43 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.521 1.138 . . . . 0.0 109.979 -179.984 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 3.5 m-80 -109.95 46.58 1.01 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.522 1.139 . . . . 0.0 109.298 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 76' ' ' LEU . . . . . 0.782 HD12 ' CD1' ' A' ' 73' ' ' PHE . 7.2 mt -79.9 -167.51 1.29 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.462 1.101 . . . . 0.0 109.282 179.995 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 26.3 t0 -135.82 171.4 14.52 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.528 1.142 . . . . 0.0 109.26 -179.982 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 78' ' ' HIS . . . . . . . . . . . . . 64.9 t-80 -71.24 -6.62 41.04 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.487 1.117 . . . . 0.0 109.628 179.985 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 10.1 mmtt -108.0 -36.92 6.21 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.525 1.141 . . . . 0.0 109.283 -179.984 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 80' ' ' GLU . . . . . 0.878 ' O ' HG23 ' A' ' 84' ' ' VAL . 2.2 mt-10 -78.84 -38.17 38.65 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.485 1.116 . . . . 0.0 110.306 179.973 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 81' ' ' ALA . . . . . 0.441 ' HB1' ' CE2' ' A' ' 73' ' ' PHE . . . -70.92 -32.47 69.4 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.466 1.103 . . . . 0.0 109.323 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 82' ' ' VAL . . . . . 0.5 ' O ' ' N ' ' A' ' 85' ' ' LEU . 15.4 t -77.29 -56.62 7.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.465 1.103 . . . . 0.0 109.293 179.991 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 13.6 t30 -45.54 -45.07 13.22 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.504 1.127 . . . . 0.0 109.323 -179.992 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 84' ' ' VAL . . . . . 0.878 HG23 ' O ' ' A' ' 80' ' ' GLU . 75.3 t -59.33 -34.11 53.12 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.513 1.133 . . . . 0.0 109.298 179.966 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 85' ' ' LEU . . . . . 0.5 ' N ' ' O ' ' A' ' 82' ' ' VAL . 49.8 mt -72.8 -37.28 67.59 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.49 1.119 . . . . 0.0 109.294 179.983 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 86' ' ' LYS . . . . . 0.418 ' HG3' ' O ' ' A' ' 82' ' ' VAL . 3.9 mttm -70.2 -25.96 63.66 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.481 1.113 . . . . 0.0 109.277 -179.938 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 87' ' ' SER . . . . . 0.416 ' C ' ' O ' ' A' ' 86' ' ' LYS . 35.6 t -37.02 -69.6 0.11 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.487 1.117 . . . . 0.0 110.005 -179.991 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 88' ' ' SER . . . . . 0.771 ' O ' HD11 ' A' ' 91' ' ' LEU . 0.3 OUTLIER -132.1 175.35 9.31 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.575 1.172 . . . . 0.0 110.023 179.989 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 2.8 mmt85 -81.56 -58.04 3.2 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.467 1.104 . . . . 0.0 110.285 -179.992 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -79.23 112.31 16.32 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.519 1.137 . . . . 0.0 110.006 179.991 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 91' ' ' LEU . . . . . 0.831 HD23 ' ND2' ' A' ' 69' ' ' ASN . 0.9 OUTLIER -133.5 153.01 51.98 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.529 1.143 . . . . 0.0 109.318 179.967 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 6.7 m -107.79 100.53 9.9 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.513 1.133 . . . . 0.0 110.405 -179.991 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 93' ' ' ILE . . . . . 0.802 HG23 HG23 ' A' ' 65' ' ' ILE . 16.9 mt -89.57 134.77 27.82 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.494 1.121 . . . . 0.0 109.264 -179.981 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 94' ' ' SER . . . . . 0.823 ' O ' HG22 ' A' ' 66' ' ' VAL . 0.2 OUTLIER -113.68 100.33 8.4 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.511 1.132 . . . . 0.0 110.014 179.976 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 95' ' ' ILE . . . . . 0.74 HD11 ' HE3' ' A' ' 17' ' ' LYS . 1.1 pt -100.38 169.49 1.66 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.542 1.151 . . . . 0.0 109.276 -179.965 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 96' ' ' VAL . . . . . 0.923 ' HB ' ' HB2' ' A' ' 99' ' ' ALA . 72.2 t -112.84 34.49 0.92 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.509 1.131 . . . . 0.0 109.307 179.991 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 97' ' ' ALA . . . . . 0.557 ' H ' HD12 ' A' ' 95' ' ' ILE . . . 45.53 93.83 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.543 1.152 . . . . 0.0 109.256 179.984 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . 46.47 58.56 4.49 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.488 1.118 . . . . 0.0 109.333 -179.971 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 99' ' ' ALA . . . . . 0.923 ' HB2' ' HB ' ' A' ' 96' ' ' VAL . . . -62.27 -67.3 0.43 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.526 1.141 . . . . 0.0 109.323 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . -107.17 60.23 0.35 Allowed Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.527 1.142 . . . . 0.0 111.021 179.945 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 6.3 ptt-85 -76.76 -17.08 59.27 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.503 0.767 . . . . 0.0 110.301 179.986 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 7.5 pt-20 -71.23 -8.13 51.52 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.517 1.136 . . . . 0.0 110.287 -179.986 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 43.8 mt -73.27 -20.52 60.81 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.466 1.104 . . . . 0.0 109.275 179.988 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 104' ' ' PHE . . . . . 0.549 ' CE2' ' HA ' ' A' ' 46' ' ' SER . 4.8 m-85 -122.98 -49.12 1.98 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.499 1.124 . . . . 0.0 110.997 179.984 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 105' ' ' MET . . . . . 0.667 ' O ' HG22 ' A' ' 106' ' ' THR . 0.0 OUTLIER 69.01 -61.5 0.43 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.451 1.094 . . . . 0.0 111.04 -179.985 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 106' ' ' THR . . . . . 0.667 HG22 ' O ' ' A' ' 105' ' ' MET . 12.8 t 48.27 -174.52 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.541 1.151 . . . . 0.0 110.401 179.959 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 10.2 p-10 178.68 116.24 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.533 1.146 . . . . 0.0 109.309 -179.997 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 6.5 ptt180 -53.4 143.89 18.01 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.495 1.122 . . . . 0.0 110.254 -179.973 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 176.94 90.49 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.499 1.124 . . . . 0.0 109.974 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 96.97 121.44 4.12 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.458 1.099 . . . . 0.0 110.998 179.965 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 111' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.05 170.87 19.47 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.527 1.804 . . . . 0.0 110.983 -179.981 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -139.07 139.54 37.77 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.513 1.133 . . . . 0.0 109.996 -179.949 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 50.4 m -115.86 137.28 52.24 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.501 1.126 . . . . 0.0 109.988 179.977 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.023 0 O-C-N 124.425 1.078 . . . . 0.0 111.006 179.995 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.938 0 N-CA-C 111.006 -0.838 . . . . 0.0 111.006 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 43.6 m -90.06 101.25 13.96 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.474 0.749 . . . . 0.0 110.031 179.968 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.5 t -169.31 94.22 0.29 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.518 1.137 . . . . 0.0 109.989 -179.965 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -89.45 132.27 11.17 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.452 1.095 . . . . 0.0 111.025 179.965 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -82.23 160.26 23.03 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.515 0.773 . . . . 0.0 109.965 -179.979 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 6.8 m -98.45 -23.68 15.47 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.507 1.13 . . . . 0.0 110.023 179.95 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 92.11 144.85 14.44 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.485 1.115 . . . . 0.0 111.012 -179.984 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -117.76 138.99 25.81 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.52 0.777 . . . . 0.0 110.036 179.995 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 -55.08 0.08 OUTLIER 'Trans proline' 0 C--N 1.359 1.106 0 O-C-N 124.516 1.798 . . . . 0.0 110.972 -179.958 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 68.77 -100.01 0.65 Allowed Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.486 1.117 . . . . 0.0 111.013 -179.99 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 1.9 t-20 62.46 130.14 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.536 0.786 . . . . 0.0 109.299 179.978 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 6.3 ptt85 178.98 139.55 0.1 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.463 1.102 . . . . 0.0 110.26 179.988 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 6.0 pt-20 -174.57 57.03 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.473 1.108 . . . . 0.0 110.323 179.99 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -157.8 -64.11 0.09 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.517 1.136 . . . . 0.0 109.284 -179.98 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 1.6 mppt? -103.53 170.11 8.13 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.519 1.137 . . . . 0.0 109.259 -179.952 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 25.6 mt-10 38.69 87.95 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.504 1.127 . . . . 0.0 110.345 -179.979 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . 1.022 ' CE ' HD11 ' A' ' 95' ' ' ILE . 0.4 OUTLIER -110.81 142.95 42.13 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.519 1.137 . . . . 0.0 109.318 -179.99 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -95.11 133.72 38.62 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.465 1.103 . . . . 0.0 109.287 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . 0.752 HG22 ' O ' ' A' ' 93' ' ' ILE . 26.8 m -132.47 159.35 43.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.459 1.099 . . . . 0.0 109.244 -179.966 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 20' ' ' PHE . . . . . 0.501 ' CZ ' ' OG1' ' A' ' 92' ' ' THR . 0.1 OUTLIER -135.69 113.27 10.83 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.537 1.148 . . . . 0.0 110.993 -179.984 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 21' ' ' ILE . . . . . 0.693 HG23 HD23 ' A' ' 53' ' ' LEU . 1.1 mp -95.33 102.53 13.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.464 1.102 . . . . 0.0 109.318 179.982 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . 0.629 ' O ' HD11 ' A' ' 53' ' ' LEU . 6.2 t -88.26 113.09 23.52 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.468 1.105 . . . . 0.0 109.994 -179.976 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.489 ' HB2' ' CA ' ' A' ' 89' ' ' ARG . 0.2 OUTLIER -90.84 69.15 6.44 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.542 1.151 . . . . 0.0 109.325 179.976 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . 0.743 HG23 ' O ' ' A' ' 24' ' ' VAL . 4.9 m -123.66 64.35 0.28 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.474 1.109 . . . . 0.0 109.32 179.973 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 168.9 -162.98 36.78 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.439 1.087 . . . . 0.0 111.019 -179.994 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 47.6 t -92.44 15.03 14.91 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.526 0.78 . . . . 0.0 109.957 -179.989 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -76.91 -76.62 0.16 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.511 1.132 . . . . 0.0 110.335 179.939 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . 0.463 ' HA2' ' CD2' ' A' ' 23' ' ' LEU . . . 62.08 48.42 83.3 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.501 1.126 . . . . 0.0 111.018 -179.99 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . 0.437 ' H ' HD22 ' A' ' 53' ' ' LEU . 3.2 tp 69.09 137.59 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.538 0.787 . . . . 0.0 109.309 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -126.13 7.91 7.61 Favored Glycine 0 CA--C 1.531 1.071 0 O-C-N 124.455 1.097 . . . . 0.0 111.004 -179.989 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 31' ' ' CYS . . . . . 0.655 ' HB3' HG22 ' A' ' 48' ' ' VAL . 14.9 p -106.46 142.92 35.34 Favored 'General case' 0 C--N 1.325 -0.49 0 N-CA-C 108.291 -1.003 . . . . 0.0 108.291 179.98 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -91.1 140.78 29.5 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.542 1.151 . . . . 0.0 110.004 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 7.5 pt -116.4 146.25 21.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.507 1.13 . . . . 0.0 109.3 -179.965 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -133.84 169.89 16.4 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.478 1.111 . . . . 0.0 109.967 180.0 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 50.7 p -103.46 131.6 50.43 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.483 1.115 . . . . 0.0 109.967 -179.956 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -75.55 171.29 54.31 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.449 1.093 . . . . 0.0 111.004 179.964 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 -176.24 2.78 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.543 1.812 . . . . 0.0 110.988 -179.969 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 38' ' ' ILE . . . . . 0.403 ' H ' HG22 ' A' ' 38' ' ' ILE . 5.0 tt -69.73 -28.25 36.5 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.468 1.105 . . . . 0.0 109.313 -179.976 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 6.0 pt20 -79.04 -30.55 44.17 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.499 1.125 . . . . 0.0 110.295 179.984 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . 0.457 ' N ' ' HD3' ' A' ' 41' ' ' PRO . 21.9 tttp -137.66 62.34 34.81 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.516 1.135 . . . . 0.0 109.307 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 41' ' ' PRO . . . . . 0.457 ' HD3' ' N ' ' A' ' 40' ' ' LYS . 18.2 Cg_endo -75.04 144.38 30.05 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.488 1.783 . . . . 0.0 110.982 -179.947 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 155.91 -160.57 30.12 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.552 1.158 . . . . 0.0 111.032 -179.988 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 43' ' ' ILE . . . . . 0.568 HG22 HD12 ' A' ' 65' ' ' ILE . 8.5 mm -121.19 105.94 17.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.536 0.786 . . . . 0.0 109.298 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 44' ' ' PHE . . . . . 0.638 ' CD2' HD12 ' A' ' 103' ' ' LEU . 3.3 m-85 -117.12 138.43 51.65 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.522 1.139 . . . . 0.0 110.998 -179.981 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 45' ' ' ILE . . . . . 0.431 ' O ' ' CZ ' ' A' ' 104' ' ' PHE . 16.5 mt -68.02 149.21 11.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.528 1.143 . . . . 0.0 109.288 179.977 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 1.4 p -113.91 -37.83 4.39 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.487 1.117 . . . . 0.0 110.003 179.986 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 53.7 t-80 -149.01 163.68 36.81 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.56 1.162 . . . . 0.0 109.603 179.986 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 48' ' ' VAL . . . . . 0.655 HG22 ' HB3' ' A' ' 31' ' ' CYS . 17.2 t -140.11 141.05 34.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.512 1.133 . . . . 0.0 109.31 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 12.7 mtpt -92.37 156.03 41.95 Favored Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.513 1.133 . . . . 0.0 109.289 -179.973 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 118.47 5.28 Favored 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.525 1.803 . . . . 0.0 110.984 -179.972 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 72.04 20.04 78.74 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.494 1.122 . . . . 0.0 111.005 -179.992 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 92.2 p -72.87 -166.54 0.3 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.483 0.755 . . . . 0.0 109.999 179.996 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . 0.693 HD23 HG23 ' A' ' 21' ' ' ILE . 2.8 tp -79.42 -14.45 58.93 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.506 1.129 . . . . 0.0 109.333 179.979 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . 0.652 ' O ' HG22 ' A' ' 57' ' ' VAL . 0.0 OUTLIER -94.26 -43.78 8.27 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.508 1.13 . . . . 0.0 110.023 179.986 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . 0.407 ' O ' ' N ' ' A' ' 58' ' ' GLY . . . -65.11 -46.48 80.83 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.556 1.16 . . . . 0.0 109.291 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . 0.613 ' HG3' HG13 ' A' ' 57' ' ' VAL . 11.0 pt-20 -45.95 -36.06 5.18 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.478 1.111 . . . . 0.0 110.272 -179.984 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 57' ' ' VAL . . . . . 0.652 HG22 ' O ' ' A' ' 54' ' ' SER . 33.2 m -90.78 -26.23 5.23 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.514 1.134 . . . . 0.0 109.32 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 58' ' ' GLY . . . . . 0.407 ' N ' ' O ' ' A' ' 55' ' ' ALA . . . 103.78 36.6 3.19 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.457 1.098 . . . . 0.0 111.045 -179.985 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . 0.508 ' HG ' HG23 ' A' ' 57' ' ' VAL . 19.3 mt -84.46 141.42 30.81 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.544 0.791 . . . . 0.0 109.284 -179.963 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 32.8 mt-10 -138.91 170.17 16.46 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.549 1.156 . . . . 0.0 110.277 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 68.5 mt -60.23 131.64 25.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.489 1.118 . . . . 0.0 109.282 179.969 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 111.87 -25.33 13.2 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.515 1.134 . . . . 0.0 110.967 179.962 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . 0.9 ' CG ' HD13 ' A' ' 95' ' ' ILE . 61.3 m-20 -62.24 97.12 0.08 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.516 0.774 . . . . 0.0 109.266 -179.963 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 64' ' ' GLN . . . . . 0.569 ' HB2' ' CD2' ' A' ' 44' ' ' PHE . 38.0 tt0 -83.2 118.97 23.98 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.51 1.132 . . . . 0.0 110.337 179.957 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 65' ' ' ILE . . . . . 0.73 HG23 HG23 ' A' ' 93' ' ' ILE . 22.8 mt -68.19 107.09 1.15 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.521 1.138 . . . . 0.0 109.276 -179.973 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . 0.764 HG22 ' O ' ' A' ' 94' ' ' SER . 17.6 m -98.11 -21.41 5.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.544 1.153 . . . . 0.0 109.308 179.952 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . 0.428 ' HG2' ' N ' ' A' ' 68' ' ' VAL . 36.5 tt0 -153.56 153.1 31.75 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.506 1.129 . . . . 0.0 110.269 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 68' ' ' VAL . . . . . 0.598 ' CG2' ' CG2' ' A' ' 65' ' ' ILE . 97.1 t -151.2 111.82 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.468 1.105 . . . . 0.0 109.325 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 69' ' ' ASN . . . . . 0.933 ' ND2' HD23 ' A' ' 91' ' ' LEU . 1.0 OUTLIER 59.75 17.56 6.48 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.478 1.111 . . . . 0.0 109.342 -179.995 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 101.05 -0.5 54.84 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.561 1.163 . . . . 0.0 111.029 -179.981 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 71' ' ' VAL . . . . . 0.586 HG23 ' O ' ' A' ' 68' ' ' VAL . 60.1 t -75.34 154.5 6.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.519 0.776 . . . . 0.0 109.311 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 6.5 t0 -91.18 90.96 8.02 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.526 1.141 . . . . 0.0 109.304 -179.971 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 73' ' ' PHE . . . . . 0.928 ' CD1' HD12 ' A' ' 76' ' ' LEU . 4.2 m-85 -94.28 21.66 6.77 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.443 1.089 . . . . 0.0 111.002 -179.979 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -69.94 -38.52 76.2 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.51 1.131 . . . . 0.0 109.982 179.995 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 28.7 m-20 -139.61 52.53 1.72 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.502 1.126 . . . . 0.0 109.295 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 76' ' ' LEU . . . . . 0.928 HD12 ' CD1' ' A' ' 73' ' ' PHE . 6.1 mt -87.48 -166.12 1.49 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.563 1.165 . . . . 0.0 109.297 -179.966 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 25.1 t70 -132.66 169.52 16.53 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.511 1.132 . . . . 0.0 109.326 179.985 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 78' ' ' HIS . . . . . . . . . . . . . 54.2 t-80 -70.6 -7.13 41.87 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.496 1.122 . . . . 0.0 109.581 -179.959 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 1.3 mtpp -108.71 -36.32 6.19 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.493 1.121 . . . . 0.0 109.3 -179.962 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 80' ' ' GLU . . . . . 0.71 ' CB ' HD22 ' A' ' 76' ' ' LEU . 4.3 mm-40 -79.53 -35.94 39.17 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.484 1.115 . . . . 0.0 110.279 -179.987 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 81' ' ' ALA . . . . . 0.469 ' HA ' HD13 ' A' ' 76' ' ' LEU . . . -73.62 -34.26 64.95 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.518 1.136 . . . . 0.0 109.306 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 82' ' ' VAL . . . . . 0.472 ' O ' ' N ' ' A' ' 85' ' ' LEU . 20.5 t -74.87 -57.75 5.91 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.531 1.144 . . . . 0.0 109.267 -179.958 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 11.1 t30 -48.07 -44.73 31.73 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.501 1.126 . . . . 0.0 109.304 -180.0 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 84' ' ' VAL . . . . . 0.718 HG11 ' HE1' ' A' ' 73' ' ' PHE . 46.9 t -63.27 -27.45 43.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.513 1.133 . . . . 0.0 109.279 -179.98 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 85' ' ' LEU . . . . . 0.574 ' HA ' HD13 ' A' ' 91' ' ' LEU . 36.3 mt -81.95 -34.57 29.73 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.473 1.108 . . . . 0.0 109.3 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 86' ' ' LYS . . . . . 0.463 ' O ' ' C ' ' A' ' 87' ' ' SER . 0.0 OUTLIER -78.64 -34.03 46.81 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.457 1.098 . . . . 0.0 109.318 179.997 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 87' ' ' SER . . . . . 0.463 ' C ' ' O ' ' A' ' 86' ' ' LYS . 34.1 t -34.77 -68.66 0.11 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.519 1.137 . . . . 0.0 109.972 -179.971 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 88' ' ' SER . . . . . 0.607 ' O ' HD11 ' A' ' 91' ' ' LEU . 0.3 OUTLIER -115.6 165.4 13.06 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.48 1.112 . . . . 0.0 109.999 -179.987 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 89' ' ' ARG . . . . . 0.489 ' CA ' ' HB2' ' A' ' 23' ' ' LEU . 0.6 OUTLIER -79.27 -64.44 1.19 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.416 1.073 . . . . 0.0 110.351 179.954 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -80.34 112.58 17.81 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.523 1.139 . . . . 0.0 109.976 179.984 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 91' ' ' LEU . . . . . 0.933 HD23 ' ND2' ' A' ' 69' ' ' ASN . 1.4 mt -129.93 144.33 51.27 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.492 1.12 . . . . 0.0 109.267 179.953 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 92' ' ' THR . . . . . 0.501 ' OG1' ' CZ ' ' A' ' 20' ' ' PHE . 33.6 m -100.25 101.66 12.73 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.495 1.122 . . . . 0.0 110.426 179.973 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 93' ' ' ILE . . . . . 0.752 ' O ' HG22 ' A' ' 19' ' ' VAL . 25.8 mt -89.3 141.26 14.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.457 1.098 . . . . 0.0 109.299 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 94' ' ' SER . . . . . 0.764 ' O ' HG22 ' A' ' 66' ' ' VAL . 0.3 OUTLIER -122.96 109.86 14.65 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.482 1.114 . . . . 0.0 110.011 -179.971 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 95' ' ' ILE . . . . . 1.022 HD11 ' CE ' ' A' ' 17' ' ' LYS . 1.1 pt -108.74 170.42 2.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.466 1.104 . . . . 0.0 109.339 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 96' ' ' VAL . . . . . 0.808 ' HB ' ' HB2' ' A' ' 99' ' ' ALA . 84.2 t -107.16 31.17 0.89 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.509 1.131 . . . . 0.0 109.243 -179.982 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 97' ' ' ALA . . . . . 0.607 ' H ' HD12 ' A' ' 95' ' ' ILE . . . 44.19 92.99 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.505 1.128 . . . . 0.0 109.277 179.95 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 98' ' ' ALA . . . . . 0.654 ' HB1' ' HG3' ' A' ' 101' ' ' ARG . . . 55.96 52.9 9.88 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.57 1.169 . . . . 0.0 109.285 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 99' ' ' ALA . . . . . 0.808 ' HB2' ' HB ' ' A' ' 96' ' ' VAL . . . -58.25 -71.59 0.11 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.508 1.13 . . . . 0.0 109.305 179.976 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . -103.5 57.53 0.55 Allowed Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.532 1.145 . . . . 0.0 111.005 -179.997 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 101' ' ' ARG . . . . . 0.654 ' HG3' ' HB1' ' A' ' 98' ' ' ALA . 0.0 OUTLIER -63.78 -29.15 70.39 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.481 0.754 . . . . 0.0 110.266 -179.976 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 1.3 pt-20 -62.27 -20.47 64.31 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.503 1.127 . . . . 0.0 110.325 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 103' ' ' LEU . . . . . 0.638 HD12 ' CD2' ' A' ' 44' ' ' PHE . 32.4 mt -66.7 -16.51 64.28 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.497 1.123 . . . . 0.0 109.317 179.976 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 104' ' ' PHE . . . . . 0.431 ' CZ ' ' O ' ' A' ' 45' ' ' ILE . 14.9 m-85 -136.28 49.66 2.09 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.505 1.128 . . . . 0.0 110.983 179.989 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 105' ' ' MET . . . . . . . . . . . . . 0.4 OUTLIER -95.72 51.8 1.3 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.513 1.133 . . . . 0.0 111.026 179.967 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 8.9 t -157.78 139.27 13.72 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.479 1.112 . . . . 0.0 110.41 -179.963 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 25.2 t70 -113.47 159.48 19.48 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.523 1.139 . . . . 0.0 109.288 -179.974 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -167.19 136.91 2.87 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.499 1.125 . . . . 0.0 110.282 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 48.9 m -64.25 171.9 2.79 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.495 1.122 . . . . 0.0 109.996 -179.985 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . -164.88 157.76 30.31 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.501 1.126 . . . . 0.0 111.004 179.99 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 111' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 -178.52 4.22 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.488 1.783 . . . . 0.0 111.03 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 73.0 m -166.03 117.04 1.03 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.535 1.147 . . . . 0.0 109.984 179.976 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -94.4 136.61 34.51 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.444 1.09 . . . . 0.0 109.997 179.977 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.01 0 O-C-N 124.533 1.146 . . . . 0.0 111.013 179.996 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.009 0 N-CA-C 110.992 -0.843 . . . . 0.0 110.992 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -116.78 166.14 12.49 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.461 0.742 . . . . 0.0 110.03 -179.965 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -158.86 156.51 29.76 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.515 1.134 . . . . 0.0 110.047 179.972 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -168.2 172.41 42.8 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.488 1.117 . . . . 0.0 111.003 -179.979 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -178.15 114.3 0.08 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.541 0.789 . . . . 0.0 109.977 -179.97 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 4.7 t -105.75 -19.56 13.72 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.457 1.098 . . . . 0.0 110.003 179.993 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 100.61 179.48 29.48 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.507 1.13 . . . . 0.0 110.997 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . 0.401 ' HA ' ' HD3' ' A' ' 9' ' ' PRO . 0.3 OUTLIER -135.5 132.57 19.86 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.516 0.774 . . . . 0.0 109.982 -179.983 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . 0.401 ' HD3' ' HA ' ' A' ' 8' ' ' SER . 18.3 Cg_endo -74.98 179.92 5.61 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.479 1.779 . . . . 0.0 111.013 -179.978 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -140.6 87.19 0.19 Allowed Glycine 0 CA--C 1.531 1.06 0 O-C-N 124.479 1.112 . . . . 0.0 110.981 -179.957 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 16.4 p-10 -177.86 160.36 1.48 Allowed 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.574 0.808 . . . . 0.0 109.306 -179.992 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -116.32 76.17 1.01 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.55 1.156 . . . . 0.0 110.307 179.994 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -162.37 158.16 23.64 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.462 1.102 . . . . 0.0 110.357 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 1.2 m-20 -119.91 88.31 2.91 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.529 1.143 . . . . 0.0 109.299 -179.984 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 5.0 mmtp -122.01 171.06 9.23 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.49 1.119 . . . . 0.0 109.31 179.945 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . 0.453 ' HG3' HG22 ' A' ' 96' ' ' VAL . 14.3 mt-10 41.51 88.58 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.472 1.108 . . . . 0.0 110.265 179.954 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -109.17 141.3 41.6 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.495 1.122 . . . . 0.0 109.323 179.941 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . 0.646 ' HD3' HG23 ' A' ' 92' ' ' THR . 1.4 ttmm -97.24 112.25 24.14 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.533 1.146 . . . . 0.0 109.267 -179.986 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . 0.493 HG21 HD21 ' A' ' 59' ' ' LEU . 0.2 OUTLIER -115.22 116.68 53.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.475 1.109 . . . . 0.0 109.293 179.99 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 20' ' ' PHE . . . . . 0.594 ' CD1' ' O ' ' A' ' 91' ' ' LEU . 0.3 OUTLIER -94.56 117.65 30.45 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.503 1.127 . . . . 0.0 110.981 -179.998 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 21' ' ' ILE . . . . . 0.566 ' CG1' HD12 ' A' ' 93' ' ' ILE . 27.9 mm -95.06 102.06 13.17 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.468 1.105 . . . . 0.0 109.358 179.949 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 68.5 m -89.79 112.54 23.88 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.486 1.116 . . . . 0.0 109.948 -179.947 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.691 HD21 ' HA2' ' A' ' 28' ' ' GLY . 0.1 OUTLIER -90.0 72.98 7.39 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.49 1.119 . . . . 0.0 109.288 179.976 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . 0.52 HG23 ' O ' ' A' ' 24' ' ' VAL . 4.9 m -131.54 113.8 23.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.551 1.157 . . . . 0.0 109.314 179.966 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 128.87 -101.27 0.54 Allowed Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.527 1.142 . . . . 0.0 110.988 179.995 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 29.6 p -156.73 67.71 0.56 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.483 0.755 . . . . 0.0 110.026 -179.961 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -161.3 126.52 3.63 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.481 1.113 . . . . 0.0 110.269 -179.981 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . 0.691 ' HA2' HD21 ' A' ' 23' ' ' LEU . . . -121.55 55.25 0.66 Allowed Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.516 1.135 . . . . 0.0 110.983 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . 0.497 ' CD2' ' SG ' ' A' ' 31' ' ' CYS . 0.6 OUTLIER 65.28 112.9 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.443 0.731 . . . . 0.0 109.338 -179.978 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -104.07 42.47 1.89 Allowed Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.528 1.143 . . . . 0.0 111.024 -179.983 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 31' ' ' CYS . . . . . 0.497 ' SG ' ' CD2' ' A' ' 29' ' ' LEU . 27.7 p -136.58 143.79 43.8 Favored 'General case' 0 C--N 1.325 -0.483 0 N-CA-C 108.295 -1.002 . . . . 0.0 108.295 179.994 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -89.41 138.74 31.18 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.538 1.149 . . . . 0.0 110.025 179.994 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 33' ' ' ILE . . . . . 0.491 HD11 ' CG2' ' A' ' 82' ' ' VAL . 14.3 pt -119.01 143.04 31.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.475 1.11 . . . . 0.0 109.341 -179.997 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -136.31 168.97 18.41 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.499 1.124 . . . . 0.0 110.036 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -100.49 152.12 20.76 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.572 1.17 . . . . 0.0 110.002 -179.966 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -94.16 175.54 35.02 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.512 1.133 . . . . 0.0 111.003 179.988 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 -172.0 1.13 Allowed 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.5 1.79 . . . . 0.0 111.021 179.978 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 0.7 OUTLIER -72.92 -30.13 31.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.457 1.098 . . . . 0.0 109.3 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 7.6 pt20 -77.6 -30.75 52.59 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.498 1.124 . . . . 0.0 110.334 179.965 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . 0.646 ' HG2' HD11 ' A' ' 103' ' ' LEU . 2.5 tttt -136.6 61.86 39.24 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.543 1.152 . . . . 0.0 109.266 180.0 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 41' ' ' PRO . . . . . 0.465 ' HD3' ' N ' ' A' ' 40' ' ' LYS . 18.1 Cg_endo -75.04 145.98 31.96 Favored 'Trans proline' 0 C--N 1.361 1.191 0 O-C-N 124.517 1.798 . . . . 0.0 111.008 179.986 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 152.39 -157.93 27.55 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.5 1.125 . . . . 0.0 110.996 -179.982 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 43' ' ' ILE . . . . . 0.526 HG22 HD12 ' A' ' 65' ' ' ILE . 7.9 mm -121.88 117.8 53.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.497 0.763 . . . . 0.0 109.301 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 44' ' ' PHE . . . . . 0.565 ' CD2' ' HB2' ' A' ' 64' ' ' GLN . 2.2 m-85 -127.89 140.86 51.76 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.479 1.112 . . . . 0.0 110.989 -179.95 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 45' ' ' ILE . . . . . 0.548 ' O ' ' CZ ' ' A' ' 104' ' ' PHE . 8.9 mt -66.93 152.55 9.53 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.472 1.107 . . . . 0.0 109.302 179.969 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -117.59 -38.64 3.26 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.442 1.089 . . . . 0.0 110.002 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 44.3 t-80 -151.66 159.82 43.87 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.427 1.079 . . . . 0.0 109.563 -179.971 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 65.2 t -141.0 131.06 26.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.522 1.139 . . . . 0.0 109.273 -179.974 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -75.81 155.78 84.85 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.511 1.132 . . . . 0.0 109.296 180.0 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 111.57 3.36 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.555 1.818 . . . . 0.0 110.997 -179.996 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 74.23 45.08 26.46 Favored Glycine 0 CA--C 1.529 0.95 0 O-C-N 124.477 1.11 . . . . 0.0 110.996 -179.979 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 28.5 p -93.71 -166.5 1.52 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.447 0.734 . . . . 0.0 109.973 -179.976 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . 0.47 HD12 ' CD ' ' A' ' 56' ' ' GLU . 19.0 tp -79.43 -13.71 59.41 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.503 1.127 . . . . 0.0 109.319 179.976 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . 0.894 ' O ' HG22 ' A' ' 57' ' ' VAL . 0.0 OUTLIER -95.75 -42.13 8.51 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.574 1.172 . . . . 0.0 110.027 179.99 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . 0.434 ' O ' ' N ' ' A' ' 58' ' ' GLY . . . -65.22 -43.06 92.7 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.495 1.122 . . . . 0.0 109.33 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . 0.649 ' HG3' HG13 ' A' ' 57' ' ' VAL . 7.0 pt-20 -46.79 -35.33 6.12 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.474 1.109 . . . . 0.0 110.327 179.967 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 57' ' ' VAL . . . . . 0.894 HG22 ' O ' ' A' ' 54' ' ' SER . 7.2 m -88.38 -26.1 5.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.519 1.137 . . . . 0.0 109.307 179.976 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 58' ' ' GLY . . . . . 0.434 ' N ' ' O ' ' A' ' 55' ' ' ALA . . . 106.84 38.6 2.16 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.457 1.098 . . . . 0.0 110.969 179.989 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . 0.493 HD21 HG21 ' A' ' 19' ' ' VAL . 17.8 mt -87.85 137.34 32.42 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.493 0.761 . . . . 0.0 109.313 179.958 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -136.9 173.2 11.95 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.518 1.136 . . . . 0.0 110.292 179.969 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 21.3 mt -62.44 134.92 27.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.516 1.135 . . . . 0.0 109.333 179.988 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 109.74 -34.89 5.2 Favored Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.498 1.124 . . . . 0.0 111.042 -179.937 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . 0.561 ' HB3' HD13 ' A' ' 95' ' ' ILE . 52.7 m-20 -50.8 96.71 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.482 0.754 . . . . 0.0 109.286 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 64' ' ' GLN . . . . . 0.565 ' HB2' ' CD2' ' A' ' 44' ' ' PHE . 42.3 tt0 -83.02 130.23 35.12 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.496 1.122 . . . . 0.0 110.311 179.978 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 65' ' ' ILE . . . . . 0.604 ' CG2' ' CG2' ' A' ' 68' ' ' VAL . 5.5 mt -82.28 108.16 14.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.493 1.121 . . . . 0.0 109.293 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . 0.925 HG22 ' O ' ' A' ' 94' ' ' SER . 14.4 m -97.16 -21.91 5.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.489 1.118 . . . . 0.0 109.283 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . 0.433 ' HG2' ' N ' ' A' ' 68' ' ' VAL . 42.0 tt0 -153.96 152.49 30.62 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.479 1.112 . . . . 0.0 110.3 179.998 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 68' ' ' VAL . . . . . 0.758 ' O ' HG23 ' A' ' 71' ' ' VAL . 59.8 t -148.89 120.92 1.42 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.493 1.121 . . . . 0.0 109.327 179.979 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 69' ' ' ASN . . . . . 0.419 ' ND2' HD23 ' A' ' 91' ' ' LEU . 1.1 t-20 49.26 27.23 1.79 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.448 1.093 . . . . 0.0 109.294 -179.988 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 84.94 27.09 35.3 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.484 1.115 . . . . 0.0 111.039 179.998 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 71' ' ' VAL . . . . . 0.758 HG23 ' O ' ' A' ' 68' ' ' VAL . 60.5 t -102.69 154.22 5.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.492 0.76 . . . . 0.0 109.317 -179.982 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 2.6 t0 -85.95 89.52 7.81 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.496 1.122 . . . . 0.0 109.292 -179.943 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 73' ' ' PHE . . . . . 0.957 ' CD1' HD12 ' A' ' 76' ' ' LEU . 4.3 m-85 -97.62 23.77 7.43 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.489 1.118 . . . . 0.0 110.997 -179.95 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -76.82 -27.17 55.07 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.555 1.159 . . . . 0.0 110.037 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 58.1 m-80 -147.54 49.58 1.08 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.487 1.117 . . . . 0.0 109.32 -179.965 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 76' ' ' LEU . . . . . 0.957 HD12 ' CD1' ' A' ' 73' ' ' PHE . 6.3 mt -88.17 -166.92 1.72 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.488 1.117 . . . . 0.0 109.298 -179.975 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 34.5 t70 -132.93 170.24 15.62 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.495 1.122 . . . . 0.0 109.303 179.985 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 78' ' ' HIS . . . . . . . . . . . . . 61.1 t-80 -70.76 -6.91 41.09 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.458 1.099 . . . . 0.0 109.627 179.973 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -108.52 -39.18 5.48 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.522 1.139 . . . . 0.0 109.294 -179.968 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 80' ' ' GLU . . . . . 0.709 ' CB ' HD22 ' A' ' 76' ' ' LEU . 1.8 mt-10 -75.52 -36.83 60.45 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.463 1.102 . . . . 0.0 110.336 179.994 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 81' ' ' ALA . . . . . 0.442 ' HA ' HD13 ' A' ' 76' ' ' LEU . . . -72.03 -41.23 67.74 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.546 1.154 . . . . 0.0 109.281 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 82' ' ' VAL . . . . . 0.565 HG12 ' HD2' ' A' ' 86' ' ' LYS . 41.9 t -69.44 -40.08 79.44 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.521 1.138 . . . . 0.0 109.287 -179.966 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 83' ' ' ASN . . . . . 0.458 ' HA ' ' CD ' ' A' ' 86' ' ' LYS . 9.5 t30 -60.15 -49.74 76.44 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.535 1.147 . . . . 0.0 109.306 -179.985 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 84' ' ' VAL . . . . . 0.694 HG11 HG21 ' A' ' 71' ' ' VAL . 64.3 t -67.78 -21.08 26.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.48 1.113 . . . . 0.0 109.319 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 32.9 mt -87.16 -26.57 23.52 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.493 1.121 . . . . 0.0 109.296 -179.994 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 86' ' ' LYS . . . . . 0.565 ' HD2' HG12 ' A' ' 82' ' ' VAL . 0.0 OUTLIER -102.38 -1.01 31.72 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.521 1.138 . . . . 0.0 109.343 179.964 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 87' ' ' SER . . . . . 0.452 ' N ' ' O ' ' A' ' 83' ' ' ASN . 19.5 m -84.0 7.42 18.52 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.474 1.109 . . . . 0.0 109.977 179.988 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -177.44 163.48 1.99 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.498 1.124 . . . . 0.0 110.002 -179.945 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 89' ' ' ARG . . . . . 0.469 ' CA ' ' HB2' ' A' ' 23' ' ' LEU . 18.8 mmt85 -89.05 -65.91 0.97 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.493 1.121 . . . . 0.0 110.316 179.983 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -80.75 108.14 14.16 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.518 1.136 . . . . 0.0 109.95 -179.982 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 91' ' ' LEU . . . . . 0.594 ' O ' ' CD1' ' A' ' 20' ' ' PHE . 0.9 OUTLIER -122.15 160.12 25.78 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.475 1.109 . . . . 0.0 109.313 179.99 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 92' ' ' THR . . . . . 0.646 HG23 ' HD3' ' A' ' 18' ' ' LYS . 31.1 m -115.64 98.54 6.76 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.507 1.129 . . . . 0.0 110.415 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 93' ' ' ILE . . . . . 0.566 HD12 ' CG1' ' A' ' 21' ' ' ILE . 15.6 mt -87.89 133.94 29.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.474 1.109 . . . . 0.0 109.33 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 94' ' ' SER . . . . . 0.925 ' O ' HG22 ' A' ' 66' ' ' VAL . 0.3 OUTLIER -118.71 96.57 5.33 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.498 1.124 . . . . 0.0 110.026 179.991 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 95' ' ' ILE . . . . . 0.561 HD13 ' HB3' ' A' ' 63' ' ' ASP . 1.7 pt -99.7 169.38 1.63 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.493 1.12 . . . . 0.0 109.305 179.983 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 96' ' ' VAL . . . . . 0.775 ' HB ' ' HB2' ' A' ' 99' ' ' ALA . 74.7 t -107.57 31.32 0.91 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.542 1.151 . . . . 0.0 109.314 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 97' ' ' ALA . . . . . 0.408 ' O ' ' O ' ' A' ' 96' ' ' VAL . . . 46.73 95.03 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.506 1.129 . . . . 0.0 109.316 179.994 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 98' ' ' ALA . . . . . 0.52 ' HB1' ' HG3' ' A' ' 101' ' ' ARG . . . 51.49 55.1 9.91 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.463 1.102 . . . . 0.0 109.295 179.989 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 99' ' ' ALA . . . . . 0.775 ' HB2' ' HB ' ' A' ' 96' ' ' VAL . . . -60.76 -70.55 0.17 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.472 1.108 . . . . 0.0 109.271 -179.979 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . -101.43 58.45 0.65 Allowed Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.483 1.114 . . . . 0.0 110.988 -179.981 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 101' ' ' ARG . . . . . 0.52 ' HG3' ' HB1' ' A' ' 98' ' ' ALA . 0.0 OUTLIER -70.35 -25.22 63.18 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.481 0.754 . . . . 0.0 110.314 179.983 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 8.9 pt-20 -70.71 -36.42 73.22 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.532 1.145 . . . . 0.0 110.343 179.986 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 103' ' ' LEU . . . . . 0.646 HD11 ' HG2' ' A' ' 40' ' ' LYS . 47.3 mt -40.36 -46.3 2.33 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.529 1.143 . . . . 0.0 109.337 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 104' ' ' PHE . . . . . 0.548 ' CZ ' ' O ' ' A' ' 45' ' ' ILE . 27.6 m-85 -97.63 -52.88 3.61 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.51 1.131 . . . . 0.0 110.998 179.981 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 105' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER 59.99 83.92 0.13 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.464 1.102 . . . . 0.0 110.998 179.989 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 17.7 m 63.45 121.96 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.454 1.096 . . . . 0.0 110.45 -179.973 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -148.82 159.99 43.64 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.505 1.128 . . . . 0.0 109.283 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -166.56 124.35 1.37 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.505 1.128 . . . . 0.0 110.325 -179.956 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 1.9 t -129.63 138.15 51.06 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.471 1.107 . . . . 0.0 110.018 -179.988 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . -60.63 112.03 4.23 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.473 1.108 . . . . 0.0 111.043 179.984 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 111' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 -48.03 0.18 Allowed 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.492 1.785 . . . . 0.0 110.962 -179.927 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 13.2 p -41.54 123.12 2.11 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.523 1.139 . . . . 0.0 110.01 179.998 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 1.1 t -174.82 109.65 0.12 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.48 1.112 . . . . 0.0 109.981 179.995 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.995 0 O-C-N 124.515 1.135 . . . . 0.0 110.964 -179.978 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.994 0 N-CA-C 110.972 -0.851 . . . . 0.0 110.972 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -118.1 87.24 2.68 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.505 0.768 . . . . 0.0 110.065 179.956 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 26.3 p -76.04 148.46 37.99 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.541 1.151 . . . . 0.0 109.996 -179.953 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 164.24 145.58 4.44 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.51 1.131 . . . . 0.0 110.991 179.983 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 2.5 t 62.47 112.75 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.498 0.763 . . . . 0.0 110.02 -179.957 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 12.0 p -105.6 24.95 11.39 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.54 1.15 . . . . 0.0 110.04 179.971 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 74.1 -170.66 53.09 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.509 1.13 . . . . 0.0 111.015 179.994 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 95.1 p -134.97 144.44 50.36 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.527 0.781 . . . . 0.0 110.009 179.96 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 136.7 20.68 Favored 'Trans proline' 0 C--N 1.359 1.121 0 O-C-N 124.497 1.788 . . . . 0.0 110.982 179.981 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -119.29 -178.19 16.55 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.482 1.114 . . . . 0.0 110.994 -179.983 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 1.3 t-20 -152.72 136.35 16.07 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.524 0.779 . . . . 0.0 109.267 179.986 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 45.9 mtt180 -70.73 104.8 2.97 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.528 1.142 . . . . 0.0 110.293 179.984 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -153.59 -61.05 0.14 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.458 1.099 . . . . 0.0 110.298 179.968 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 3.4 m-20 -126.17 168.19 14.38 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.507 1.13 . . . . 0.0 109.333 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . 0.428 ' O ' ' C ' ' A' ' 96' ' ' VAL . 0.0 OUTLIER -95.32 110.82 22.78 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.512 1.133 . . . . 0.0 109.294 -179.97 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . 0.447 ' HG2' HG22 ' A' ' 96' ' ' VAL . 0.8 OUTLIER -115.67 145.47 42.71 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.539 1.149 . . . . 0.0 110.325 179.984 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . 0.591 ' CE ' HD11 ' A' ' 95' ' ' ILE . 0.1 OUTLIER -138.54 140.12 38.96 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.526 1.141 . . . . 0.0 109.325 -179.988 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . 0.445 ' CG ' HG23 ' A' ' 92' ' ' THR . 1.0 OUTLIER -96.37 117.52 31.01 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.457 1.098 . . . . 0.0 109.285 179.995 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . 0.487 HG23 ' HB ' ' A' ' 93' ' ' ILE . 0.3 OUTLIER -118.87 116.89 52.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.54 1.15 . . . . 0.0 109.284 179.997 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -94.93 108.44 20.49 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.521 1.138 . . . . 0.0 111.023 179.974 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 21' ' ' ILE . . . . . 0.401 ' O ' ' O ' ' A' ' 89' ' ' ARG . 24.1 mm -95.27 112.18 27.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.516 1.135 . . . . 0.0 109.262 -179.967 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . 0.598 ' O ' HD21 ' A' ' 53' ' ' LEU . 8.3 p -111.55 122.24 47.3 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.519 1.137 . . . . 0.0 109.972 179.995 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 3.8 mp -101.75 76.49 1.65 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.525 1.141 . . . . 0.0 109.258 -180.0 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 4.5 m -117.01 144.21 25.33 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.482 1.114 . . . . 0.0 109.327 179.966 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 38.25 -127.39 1.67 Allowed Glycine 0 CA--C 1.529 0.957 0 O-C-N 124.477 1.11 . . . . 0.0 111.053 -179.966 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 74.9 p -56.19 -165.46 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.467 0.746 . . . . 0.0 110.062 179.951 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER 59.63 174.95 0.08 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.483 1.114 . . . . 0.0 110.301 -180.0 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . 0.403 ' O ' ' C ' ' A' ' 29' ' ' LEU . . . 165.15 131.81 1.29 Allowed Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.504 1.128 . . . . 0.0 110.984 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . 0.403 ' C ' ' O ' ' A' ' 28' ' ' GLY . 0.6 OUTLIER -40.2 129.15 2.29 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.48 0.753 . . . . 0.0 109.281 179.992 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -129.59 29.09 3.87 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.547 1.154 . . . . 0.0 111.013 179.983 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 13.0 p -117.51 139.52 50.82 Favored 'General case' 0 C--N 1.324 -0.506 0 N-CA-C 108.298 -1.001 . . . . 0.0 108.298 -179.977 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -94.61 139.66 30.9 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.546 1.154 . . . . 0.0 110.043 180.0 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 33' ' ' ILE . . . . . 0.745 HD11 ' CG2' ' A' ' 82' ' ' VAL . 6.3 pt -115.65 147.92 18.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.477 1.111 . . . . 0.0 109.298 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -136.52 170.07 16.65 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.471 1.107 . . . . 0.0 110.031 179.978 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 79.2 p -97.59 135.39 39.48 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.45 1.094 . . . . 0.0 109.986 -179.997 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -81.57 168.43 49.77 Favored Glycine 0 CA--C 1.531 1.049 0 O-C-N 124.494 1.121 . . . . 0.0 110.972 -179.966 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 -169.52 0.64 Allowed 'Trans proline' 0 C--N 1.359 1.128 0 O-C-N 124.565 1.824 . . . . 0.0 110.989 -179.985 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 5.4 tt -75.62 -29.99 21.27 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.504 1.128 . . . . 0.0 109.275 -179.992 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 1.9 pt20 -78.8 -27.71 44.46 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.448 1.092 . . . . 0.0 110.317 179.995 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . 0.886 ' HG2' HD11 ' A' ' 103' ' ' LEU . 0.0 OUTLIER -137.73 62.16 33.49 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.521 1.138 . . . . 0.0 109.322 -179.983 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 41' ' ' PRO . . . . . 0.461 ' HD3' ' N ' ' A' ' 40' ' ' LYS . 18.3 Cg_endo -74.99 145.35 31.39 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.499 1.789 . . . . 0.0 111.026 179.992 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 145.18 -158.83 27.76 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.468 1.105 . . . . 0.0 111.004 -179.999 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 27.0 mm -117.61 117.9 56.63 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.542 0.789 . . . . 0.0 109.289 179.975 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 44' ' ' PHE . . . . . 0.574 ' CD2' ' HB2' ' A' ' 64' ' ' GLN . 2.9 m-85 -128.76 135.04 48.65 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.548 1.155 . . . . 0.0 110.996 -179.988 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 45' ' ' ILE . . . . . 0.421 ' O ' ' CZ ' ' A' ' 104' ' ' PHE . 13.8 mt -62.87 138.18 23.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.527 1.142 . . . . 0.0 109.265 -179.949 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 51.1 p -104.77 -36.28 7.47 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.509 1.131 . . . . 0.0 110.005 -179.969 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 63.2 t-80 -150.67 163.17 39.19 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.539 1.149 . . . . 0.0 109.6 -179.988 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 77.4 t -146.14 120.71 2.77 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.479 1.112 . . . . 0.0 109.313 -179.989 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 18.9 mttp -67.67 156.39 89.08 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.489 1.118 . . . . 0.0 109.341 179.997 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.02 124.14 8.4 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.485 1.782 . . . . 0.0 111.017 -179.988 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 67.46 30.08 74.77 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.516 1.135 . . . . 0.0 111.009 -179.973 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 52' ' ' SER . . . . . 0.4 ' H ' ' HB3' ' A' ' 55' ' ' ALA . 9.4 p -78.75 -174.95 4.18 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.442 0.73 . . . . 0.0 109.982 -179.988 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . 0.598 HD21 ' O ' ' A' ' 22' ' ' SER . 12.4 tp -73.51 -19.59 60.88 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.552 1.157 . . . . 0.0 109.364 179.968 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . 0.801 ' O ' HG22 ' A' ' 57' ' ' VAL . 0.0 OUTLIER -95.7 -36.3 11.25 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.513 1.133 . . . . 0.0 109.991 -179.999 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . 0.4 ' HB3' ' H ' ' A' ' 52' ' ' SER . . . -68.07 -33.23 74.15 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.479 1.112 . . . . 0.0 109.286 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . 0.564 ' CD ' HD12 ' A' ' 53' ' ' LEU . 4.6 pt-20 -61.73 -35.0 76.81 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.494 1.121 . . . . 0.0 110.309 -179.975 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 57' ' ' VAL . . . . . 0.801 HG22 ' O ' ' A' ' 54' ' ' SER . 17.8 m -83.37 -21.35 8.86 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.501 1.126 . . . . 0.0 109.312 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 100.58 36.79 3.93 Favored Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.536 1.148 . . . . 0.0 110.995 179.997 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . 0.539 ' HG ' HG23 ' A' ' 57' ' ' VAL . 19.7 mt -89.67 138.5 31.42 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.46 0.741 . . . . 0.0 109.265 -179.975 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 35.8 mt-10 -139.06 173.26 11.74 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.507 1.129 . . . . 0.0 110.338 179.977 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 44.2 mt -60.07 134.98 25.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.461 1.101 . . . . 0.0 109.303 -179.974 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 62' ' ' GLY . . . . . 0.464 ' HA3' ' CG ' ' A' ' 101' ' ' ARG . . . 112.6 -34.69 5.01 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.489 1.118 . . . . 0.0 111.029 -179.949 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . 0.599 ' HB3' HD13 ' A' ' 95' ' ' ILE . 85.2 m-20 -56.32 97.29 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.529 0.782 . . . . 0.0 109.303 179.981 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 64' ' ' GLN . . . . . 0.656 ' HB3' ' HB3' ' A' ' 99' ' ' ALA . 42.8 tt0 -83.28 131.9 35.06 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.505 1.128 . . . . 0.0 110.276 -179.995 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 65' ' ' ILE . . . . . 0.753 HG23 HG23 ' A' ' 93' ' ' ILE . 35.5 mt -85.52 111.28 20.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.518 1.136 . . . . 0.0 109.297 179.998 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . 0.678 HG22 ' O ' ' A' ' 94' ' ' SER . 15.4 m -99.61 -24.12 4.25 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.511 1.132 . . . . 0.0 109.312 179.976 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . 0.431 ' HA ' ' O ' ' A' ' 71' ' ' VAL . 29.0 tt0 -150.58 154.09 36.92 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.54 1.15 . . . . 0.0 110.294 179.985 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 68' ' ' VAL . . . . . 0.596 ' HB ' ' CE1' ' A' ' 73' ' ' PHE . 94.2 t -152.67 116.12 0.51 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.472 1.107 . . . . 0.0 109.321 -179.993 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 69' ' ' ASN . . . . . 0.896 ' ND2' HD23 ' A' ' 91' ' ' LEU . 1.0 OUTLIER 55.26 19.64 3.06 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.461 1.101 . . . . 0.0 109.275 -179.997 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 93.58 14.54 52.92 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.557 1.161 . . . . 0.0 110.983 179.929 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 71' ' ' VAL . . . . . 0.495 HG23 ' O ' ' A' ' 68' ' ' VAL . 90.3 t -91.84 141.07 15.06 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.475 0.75 . . . . 0.0 109.265 -179.954 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 1.1 t70 -76.13 86.3 2.99 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.509 1.131 . . . . 0.0 109.325 179.982 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 73' ' ' PHE . . . . . 0.734 ' CG ' HD12 ' A' ' 76' ' ' LEU . 3.7 m-85 -90.53 19.53 5.24 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.538 1.149 . . . . 0.0 111.003 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -74.03 -56.76 4.54 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.526 1.141 . . . . 0.0 109.951 -179.952 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -114.13 45.99 1.41 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.464 1.103 . . . . 0.0 109.309 180.0 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 76' ' ' LEU . . . . . 0.8 HD22 ' HB2' ' A' ' 80' ' ' GLU . 4.5 mt -84.01 -165.49 1.15 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.529 1.143 . . . . 0.0 109.31 179.995 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 77' ' ' ASP . . . . . 0.403 ' OD2' ' N ' ' A' ' 79' ' ' LYS . 26.4 t70 -132.29 169.12 16.92 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.538 1.149 . . . . 0.0 109.255 -179.957 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 78' ' ' HIS . . . . . . . . . . . . . 51.4 t-80 -73.46 -7.43 51.73 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.536 1.148 . . . . 0.0 109.577 -179.963 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 79' ' ' LYS . . . . . 0.403 ' N ' ' OD2' ' A' ' 77' ' ' ASP . 9.6 mttm -109.38 -28.54 8.9 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.475 1.11 . . . . 0.0 109.308 179.978 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 80' ' ' GLU . . . . . 0.8 ' HB2' HD22 ' A' ' 76' ' ' LEU . 3.2 mm-40 -86.0 -36.01 20.03 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.478 1.111 . . . . 0.0 110.254 -179.98 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 81' ' ' ALA . . . . . 0.606 ' O ' HD12 ' A' ' 85' ' ' LEU . . . -73.8 -20.16 60.55 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.499 1.124 . . . . 0.0 109.32 -179.972 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 82' ' ' VAL . . . . . 0.745 ' CG2' HD11 ' A' ' 33' ' ' ILE . 3.7 t -91.06 -39.1 11.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.488 1.118 . . . . 0.0 109.266 -179.976 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 83' ' ' ASN . . . . . 0.452 ' HA ' ' CD ' ' A' ' 86' ' ' LYS . 1.7 m-20 -61.18 -41.75 97.35 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.52 1.137 . . . . 0.0 109.337 179.965 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 84' ' ' VAL . . . . . 0.457 HG11 ' HE1' ' A' ' 73' ' ' PHE . 72.4 t -73.86 -33.8 38.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.516 1.135 . . . . 0.0 109.29 -179.951 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 85' ' ' LEU . . . . . 0.606 HD12 ' O ' ' A' ' 81' ' ' ALA . 24.7 mt -74.26 -30.34 62.08 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.503 1.127 . . . . 0.0 109.308 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 86' ' ' LYS . . . . . 0.525 ' HD2' HG12 ' A' ' 82' ' ' VAL . 0.0 OUTLIER -97.92 -1.34 43.11 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.441 1.088 . . . . 0.0 109.257 -179.982 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 34.2 t -63.74 -62.29 1.75 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.537 1.148 . . . . 0.0 110.012 -179.992 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 88' ' ' SER . . . . . 0.558 ' O ' HD11 ' A' ' 91' ' ' LEU . 0.3 OUTLIER -120.79 178.34 4.74 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.518 1.136 . . . . 0.0 109.977 -179.974 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 89' ' ' ARG . . . . . 0.401 ' O ' ' O ' ' A' ' 21' ' ' ILE . 4.6 mmt180 -91.41 -58.17 2.53 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.487 1.117 . . . . 0.0 110.29 -179.972 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -81.48 109.75 16.24 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.549 1.156 . . . . 0.0 109.979 -179.971 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 91' ' ' LEU . . . . . 0.896 HD23 ' ND2' ' A' ' 69' ' ' ASN . 1.1 mt -137.26 143.59 42.29 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.517 1.136 . . . . 0.0 109.3 179.987 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 92' ' ' THR . . . . . 0.445 HG23 ' CG ' ' A' ' 18' ' ' LYS . 4.2 m -101.93 102.74 13.33 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.482 1.114 . . . . 0.0 110.435 179.966 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 93' ' ' ILE . . . . . 0.753 HG23 HG23 ' A' ' 65' ' ' ILE . 17.3 mt -89.2 135.14 26.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.514 1.134 . . . . 0.0 109.283 -179.981 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 94' ' ' SER . . . . . 0.678 ' O ' HG22 ' A' ' 66' ' ' VAL . 0.5 OUTLIER -117.0 106.13 13.07 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.542 1.152 . . . . 0.0 109.961 179.999 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 95' ' ' ILE . . . . . 0.599 HD13 ' HB3' ' A' ' 63' ' ' ASP . 2.2 pt -104.12 176.01 1.01 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.54 1.15 . . . . 0.0 109.308 179.966 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 96' ' ' VAL . . . . . 0.845 ' HB ' ' HB2' ' A' ' 99' ' ' ALA . 78.1 t -115.48 33.82 1.25 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.459 1.1 . . . . 0.0 109.309 -179.989 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 97' ' ' ALA . . . . . 0.415 ' O ' ' O ' ' A' ' 96' ' ' VAL . . . 46.04 95.3 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.485 1.116 . . . . 0.0 109.344 179.988 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 98' ' ' ALA . . . . . 0.562 ' HB1' ' HG3' ' A' ' 101' ' ' ARG . . . 45.88 58.54 4.29 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.51 1.131 . . . . 0.0 109.296 -179.98 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 99' ' ' ALA . . . . . 0.845 ' HB2' ' HB ' ' A' ' 96' ' ' VAL . . . -61.43 -67.08 0.44 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.544 1.153 . . . . 0.0 109.334 179.988 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . -104.96 58.28 0.48 Allowed Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.537 1.148 . . . . 0.0 111.007 179.973 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 101' ' ' ARG . . . . . 0.562 ' HG3' ' HB1' ' A' ' 98' ' ' ALA . 0.0 OUTLIER -72.03 -31.7 66.42 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.484 0.755 . . . . 0.0 110.303 179.995 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 5.5 pt-20 -58.12 -31.28 67.02 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.469 1.105 . . . . 0.0 110.268 -179.996 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 103' ' ' LEU . . . . . 0.886 HD11 ' HG2' ' A' ' 40' ' ' LYS . 43.1 mt -50.73 -45.04 58.44 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.521 1.138 . . . . 0.0 109.307 179.975 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 104' ' ' PHE . . . . . 0.421 ' CZ ' ' O ' ' A' ' 45' ' ' ILE . 41.9 m-85 -97.0 59.4 1.65 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.528 1.143 . . . . 0.0 111.044 179.966 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 105' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -97.9 91.13 5.19 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.502 1.126 . . . . 0.0 111.054 179.948 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 1.9 t -167.07 137.13 2.98 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.485 1.116 . . . . 0.0 110.369 -179.993 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -101.16 169.0 9.21 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.506 1.129 . . . . 0.0 109.292 179.979 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 1.4 ttt85 63.1 129.41 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.537 1.148 . . . . 0.0 110.229 179.964 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 14.2 p -159.63 138.84 11.1 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.507 1.129 . . . . 0.0 109.949 179.989 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . -135.26 95.59 0.26 Allowed Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.546 1.154 . . . . 0.0 110.966 -179.995 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 111' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.01 158.42 42.17 Favored 'Trans proline' 0 C--N 1.361 1.207 0 O-C-N 124.522 1.801 . . . . 0.0 111.013 179.95 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -144.08 131.15 20.56 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.493 1.121 . . . . 0.0 109.954 -179.99 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 7.1 t 56.84 -93.97 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.49 1.118 . . . . 0.0 110.033 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.977 0 O-C-N 124.519 1.137 . . . . 0.0 111.005 179.981 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.964 0 N-CA-C 110.993 -0.843 . . . . 0.0 110.993 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 11.0 t -105.21 -58.82 1.84 Allowed 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.467 0.745 . . . . 0.0 109.959 -179.972 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 22.3 t -175.42 162.17 2.83 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.509 1.13 . . . . 0.0 110.01 179.989 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 140.12 96.59 0.32 Allowed Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.466 1.104 . . . . 0.0 111.029 -179.946 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -127.97 89.99 3.02 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.522 0.777 . . . . 0.0 109.962 -179.96 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -109.44 -26.84 9.77 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.511 1.132 . . . . 0.0 110.001 179.978 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 83.06 117.52 0.58 Allowed Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.491 1.12 . . . . 0.0 111.001 -179.991 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . 0.403 ' HA ' ' HD3' ' A' ' 9' ' ' PRO . 33.1 m -89.41 140.34 28.46 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.476 0.751 . . . . 0.0 110.036 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . 0.403 ' HD3' ' HA ' ' A' ' 8' ' ' SER . 18.2 Cg_endo -74.98 -53.19 0.1 Allowed 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.464 1.771 . . . . 0.0 110.992 -179.947 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 122.28 152.77 8.71 Favored Glycine 0 CA--C 1.529 0.951 0 O-C-N 124.497 1.123 . . . . 0.0 111.019 -179.99 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 1.7 m-80 -161.63 127.95 3.78 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.472 0.748 . . . . 0.0 109.327 179.965 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -126.01 126.69 44.7 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.486 1.116 . . . . 0.0 110.327 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 2.0 mt-10 -164.85 144.62 7.15 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.53 1.143 . . . . 0.0 110.335 179.997 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 2.3 t-20 -98.31 -55.18 2.84 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.518 1.137 . . . . 0.0 109.285 -179.986 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.88 171.11 2.98 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.468 1.105 . . . . 0.0 109.269 -179.97 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 23.2 mt-10 49.41 91.19 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.509 1.131 . . . . 0.0 110.273 179.986 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . 0.609 ' CE ' HD11 ' A' ' 95' ' ' ILE . 0.1 OUTLIER -112.18 143.9 42.46 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.567 1.167 . . . . 0.0 109.251 -179.977 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . 0.525 ' HD3' HG23 ' A' ' 92' ' ' THR . 0.0 OUTLIER -95.97 120.31 36.02 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.505 1.128 . . . . 0.0 109.291 179.982 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . 0.48 HG23 ' O ' ' A' ' 93' ' ' ILE . 0.2 OUTLIER -121.21 135.93 59.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.522 1.139 . . . . 0.0 109.27 -179.979 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 0.9 OUTLIER -108.76 113.93 27.28 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.44 1.088 . . . . 0.0 111.017 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 21' ' ' ILE . . . . . 0.46 ' CG1' HD12 ' A' ' 93' ' ' ILE . 20.9 mm -104.64 102.1 13.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.489 1.118 . . . . 0.0 109.297 179.977 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . 0.435 ' OG ' HG13 ' A' ' 24' ' ' VAL . 7.4 t -102.19 131.69 48.57 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.465 1.103 . . . . 0.0 110.007 -179.999 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.476 HD13 ' CD1' ' A' ' 53' ' ' LEU . 2.7 mm? -104.03 65.47 0.81 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.507 1.129 . . . . 0.0 109.35 179.984 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . 0.701 HG23 ' O ' ' A' ' 24' ' ' VAL . 13.8 m -95.76 69.47 0.51 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.463 1.102 . . . . 0.0 109.296 179.999 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . 0.43 ' O ' ' N ' ' A' ' 27' ' ' ARG . . . 45.55 -167.18 0.04 OUTLIER Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.479 1.112 . . . . 0.0 111.009 179.998 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 37.0 m 61.76 -82.04 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.535 0.786 . . . . 0.0 109.967 -179.975 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . 0.43 ' N ' ' O ' ' A' ' 25' ' ' GLY . 0.7 OUTLIER -86.58 157.6 19.69 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.474 1.109 . . . . 0.0 110.283 -179.969 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . 0.404 ' O ' ' C ' ' A' ' 29' ' ' LEU . . . -147.4 133.21 4.62 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.448 1.092 . . . . 0.0 110.991 179.978 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . 0.404 ' C ' ' O ' ' A' ' 28' ' ' GLY . 0.9 OUTLIER -39.91 133.46 1.62 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.526 0.78 . . . . 0.0 109.304 -179.993 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -132.45 29.15 3.34 Favored Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.547 1.154 . . . . 0.0 110.992 -179.958 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 31' ' ' CYS . . . . . 0.487 ' HG ' ' HG ' ' A' ' 54' ' ' SER . 26.0 p -115.67 146.97 41.37 Favored 'General case' 0 C--N 1.325 -0.471 0 N-CA-C 108.322 -0.992 . . . . 0.0 108.322 179.984 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -108.19 136.5 47.75 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.515 1.134 . . . . 0.0 109.981 -179.935 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 33' ' ' ILE . . . . . 0.49 HD11 ' CG2' ' A' ' 82' ' ' VAL . 13.6 pt -107.21 144.88 15.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.485 1.116 . . . . 0.0 109.339 179.948 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 25.0 m -128.07 152.88 47.44 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.476 1.11 . . . . 0.0 110.019 179.984 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 90.2 p -83.81 139.82 32.44 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.486 1.116 . . . . 0.0 109.988 179.994 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -90.88 162.0 28.52 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.501 1.126 . . . . 0.0 111.035 179.95 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 -170.2 0.74 Allowed 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.514 1.797 . . . . 0.0 110.976 -179.982 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 5.2 tt -73.92 -29.53 26.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.46 1.1 . . . . 0.0 109.276 -179.986 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 12.6 pt20 -79.65 -28.47 40.85 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.49 1.119 . . . . 0.0 110.295 -179.972 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . 0.942 ' HG2' HD11 ' A' ' 103' ' ' LEU . 0.0 OUTLIER -136.77 61.83 38.02 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.514 1.134 . . . . 0.0 109.299 -179.971 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 41' ' ' PRO . . . . . 0.469 ' HD3' ' N ' ' A' ' 40' ' ' LYS . 18.3 Cg_endo -74.91 146.21 32.76 Favored 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.501 1.79 . . . . 0.0 111.037 179.967 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 142.31 -160.33 27.23 Favored Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.502 1.126 . . . . 0.0 110.983 179.979 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 43' ' ' ILE . . . . . 0.53 HG22 HD12 ' A' ' 65' ' ' ILE . 15.0 mm -119.81 126.03 74.9 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.474 0.749 . . . . 0.0 109.277 -179.938 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 44' ' ' PHE . . . . . 0.589 ' N ' ' CD1' ' A' ' 44' ' ' PHE . 0.8 OUTLIER -137.06 140.86 42.31 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.47 1.106 . . . . 0.0 111.016 -179.986 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 21.6 mt -64.96 142.25 17.16 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.515 1.134 . . . . 0.0 109.288 -179.993 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 1.1 p -110.5 -35.91 5.91 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.501 1.125 . . . . 0.0 109.958 -179.948 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 47' ' ' HIS . . . . . 0.441 ' O ' ' HA ' ' A' ' 31' ' ' CYS . 57.1 t-80 -158.95 147.87 18.55 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.505 1.128 . . . . 0.0 109.635 -179.963 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 48' ' ' VAL . . . . . 0.457 HG21 ' HB2' ' A' ' 54' ' ' SER . 2.5 p -150.7 131.38 4.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.503 1.127 . . . . 0.0 109.271 -179.969 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -67.15 142.23 96.89 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.525 1.141 . . . . 0.0 109.299 179.984 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.01 65.05 6.08 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.443 1.759 . . . . 0.0 111.023 179.999 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 145.21 44.64 0.04 OUTLIER Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.513 1.133 . . . . 0.0 111.016 -179.984 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 52' ' ' SER . . . . . 0.734 ' H ' ' HB3' ' A' ' 55' ' ' ALA . 14.3 p -109.7 -148.1 0.42 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.531 0.783 . . . . 0.0 109.967 -179.975 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . 0.765 HD23 ' CD ' ' A' ' 56' ' ' GLU . 0.8 OUTLIER -88.45 -21.64 24.12 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.483 1.114 . . . . 0.0 109.304 -179.997 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . 0.548 ' HB3' HD12 ' A' ' 59' ' ' LEU . 1.1 m -95.83 -29.75 14.05 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.543 1.152 . . . . 0.0 109.94 -179.949 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . 0.734 ' HB3' ' H ' ' A' ' 52' ' ' SER . . . -73.49 -22.61 60.1 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.496 1.122 . . . . 0.0 109.33 -179.999 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . 0.765 ' CD ' HD23 ' A' ' 53' ' ' LEU . 3.6 pt-20 -72.88 -37.98 67.14 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.468 1.105 . . . . 0.0 110.288 -179.981 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 57' ' ' VAL . . . . . 0.504 ' CG2' ' HG ' ' A' ' 59' ' ' LEU . 0.9 OUTLIER -79.99 -26.84 12.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.475 1.109 . . . . 0.0 109.305 179.952 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 104.99 43.69 1.61 Allowed Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.477 1.11 . . . . 0.0 111.008 -179.968 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . 0.548 HD12 ' HB3' ' A' ' 54' ' ' SER . 19.2 mt -91.03 147.2 23.24 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.494 0.761 . . . . 0.0 109.281 179.978 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 33.0 mt-10 -143.9 163.02 34.6 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.503 1.127 . . . . 0.0 110.257 -179.993 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 32.7 mt -55.09 124.83 8.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.486 1.116 . . . . 0.0 109.296 179.993 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 121.01 -34.35 4.06 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.478 1.111 . . . . 0.0 111.008 -179.957 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . 0.471 ' OD2' ' CD2' ' A' ' 59' ' ' LEU . 90.8 m-20 -51.52 99.86 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.481 0.753 . . . . 0.0 109.313 -179.981 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 64' ' ' GLN . . . . . 0.623 ' HB3' ' HB3' ' A' ' 99' ' ' ALA . 29.5 tt0 -83.27 136.49 34.37 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.438 1.086 . . . . 0.0 110.314 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 65' ' ' ILE . . . . . 0.583 ' CG2' ' CG2' ' A' ' 68' ' ' VAL . 26.5 mt -89.54 109.73 20.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.479 1.112 . . . . 0.0 109.356 179.973 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . 0.603 HG22 ' O ' ' A' ' 94' ' ' SER . 18.6 m -100.59 -21.4 5.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.507 1.13 . . . . 0.0 109.355 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . 0.424 ' HG2' ' N ' ' A' ' 68' ' ' VAL . 27.6 tt0 -152.05 151.55 31.27 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.446 1.091 . . . . 0.0 110.306 179.964 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 68' ' ' VAL . . . . . 0.626 ' O ' HG23 ' A' ' 71' ' ' VAL . 86.4 t -151.21 113.78 0.53 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.492 1.12 . . . . 0.0 109.314 -179.986 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 69' ' ' ASN . . . . . 0.756 ' ND2' HD23 ' A' ' 91' ' ' LEU . 1.1 t-20 58.56 20.73 7.89 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.523 1.139 . . . . 0.0 109.32 -179.993 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 95.31 8.87 58.42 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.472 1.107 . . . . 0.0 111.007 -179.978 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 71' ' ' VAL . . . . . 0.626 HG23 ' O ' ' A' ' 68' ' ' VAL . 78.4 t -83.53 158.91 3.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.491 0.76 . . . . 0.0 109.261 -179.986 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 6.1 t0 -94.71 88.17 5.29 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.509 1.131 . . . . 0.0 109.328 179.958 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 73' ' ' PHE . . . . . 0.936 ' CD1' HD12 ' A' ' 76' ' ' LEU . 4.0 m-85 -91.85 17.17 9.49 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.477 1.111 . . . . 0.0 110.984 180.0 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -67.15 -38.38 85.38 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.502 1.126 . . . . 0.0 109.987 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 61.2 m-80 -140.11 54.5 1.64 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.565 1.166 . . . . 0.0 109.319 179.969 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 76' ' ' LEU . . . . . 0.936 HD12 ' CD1' ' A' ' 73' ' ' PHE . 6.2 mt -89.25 -166.76 1.68 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.505 1.128 . . . . 0.0 109.363 179.965 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 33.9 t70 -130.46 169.56 15.36 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.515 1.134 . . . . 0.0 109.283 179.982 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 78' ' ' HIS . . . . . . . . . . . . . 61.5 t-80 -70.51 -6.97 40.07 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.534 1.146 . . . . 0.0 109.584 179.979 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -108.96 -38.02 5.69 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.516 1.135 . . . . 0.0 109.29 -179.999 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 80' ' ' GLU . . . . . 0.759 ' O ' HG23 ' A' ' 84' ' ' VAL . 4.1 mt-10 -77.28 -38.05 51.61 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.535 1.147 . . . . 0.0 110.274 -179.99 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 81' ' ' ALA . . . . . 0.515 ' HA ' HD13 ' A' ' 76' ' ' LEU . . . -69.62 -33.77 73.14 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.532 1.145 . . . . 0.0 109.264 -179.985 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 82' ' ' VAL . . . . . 0.49 ' CG2' HD11 ' A' ' 33' ' ' ILE . 55.3 t -77.52 -57.37 5.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.516 1.135 . . . . 0.0 109.273 -179.971 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 8.6 t30 -46.42 -44.7 17.45 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.505 1.128 . . . . 0.0 109.316 179.984 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 84' ' ' VAL . . . . . 0.759 HG23 ' O ' ' A' ' 80' ' ' GLU . 68.9 t -62.86 -33.23 59.18 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.506 1.129 . . . . 0.0 109.336 179.961 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 85' ' ' LEU . . . . . 0.471 ' N ' ' O ' ' A' ' 82' ' ' VAL . 37.8 mt -75.38 -34.8 61.13 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.494 1.121 . . . . 0.0 109.298 -179.96 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 86' ' ' LYS . . . . . 0.471 ' O ' ' C ' ' A' ' 87' ' ' SER . 2.4 mtmt -77.54 -28.94 52.04 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.413 1.071 . . . . 0.0 109.287 179.971 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 87' ' ' SER . . . . . 0.471 ' C ' ' O ' ' A' ' 86' ' ' LYS . 40.5 t -33.87 -70.5 0.08 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.526 1.141 . . . . 0.0 110.005 -179.985 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 88' ' ' SER . . . . . 0.793 ' O ' HD11 ' A' ' 91' ' ' LEU . 0.3 OUTLIER -125.57 176.93 6.52 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.486 1.116 . . . . 0.0 109.961 -179.995 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 22.5 mmt-85 -86.84 -57.4 2.99 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.532 1.145 . . . . 0.0 110.299 179.992 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -76.68 106.07 8.12 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.5 1.125 . . . . 0.0 110.013 -179.976 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 91' ' ' LEU . . . . . 0.793 HD11 ' O ' ' A' ' 88' ' ' SER . 1.0 OUTLIER -131.21 146.67 52.42 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.55 1.156 . . . . 0.0 109.277 179.993 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 92' ' ' THR . . . . . 0.525 HG23 ' HD3' ' A' ' 18' ' ' LYS . 26.6 m -105.85 101.22 10.73 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.551 1.157 . . . . 0.0 110.393 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 93' ' ' ILE . . . . . 0.48 ' O ' HG23 ' A' ' 19' ' ' VAL . 13.6 mt -89.34 133.68 30.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.47 1.106 . . . . 0.0 109.305 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 94' ' ' SER . . . . . 0.603 ' O ' HG22 ' A' ' 66' ' ' VAL . 0.3 OUTLIER -115.17 103.08 10.51 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.48 1.112 . . . . 0.0 109.985 -179.974 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 95' ' ' ILE . . . . . 0.609 HD11 ' CE ' ' A' ' 17' ' ' LYS . 1.1 pt -100.8 166.05 2.42 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.515 1.134 . . . . 0.0 109.262 -179.982 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 96' ' ' VAL . . . . . 0.924 ' HB ' ' HB2' ' A' ' 99' ' ' ALA . 74.6 t -109.34 33.69 0.77 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.523 1.139 . . . . 0.0 109.325 179.983 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 97' ' ' ALA . . . . . 0.51 ' H ' HD12 ' A' ' 95' ' ' ILE . . . 45.4 93.29 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.501 1.126 . . . . 0.0 109.31 179.983 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 98' ' ' ALA . . . . . 0.722 ' HB1' ' HG3' ' A' ' 101' ' ' ARG . . . 47.81 58.6 4.86 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.527 1.142 . . . . 0.0 109.274 179.983 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 99' ' ' ALA . . . . . 0.924 ' HB2' ' HB ' ' A' ' 96' ' ' VAL . . . -62.32 -64.93 0.77 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.49 1.119 . . . . 0.0 109.282 -179.98 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . -105.21 57.45 0.5 Allowed Glycine 0 CA--C 1.531 1.041 0 O-C-N 124.513 1.133 . . . . 0.0 110.988 -179.982 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 101' ' ' ARG . . . . . 0.722 ' HG3' ' HB1' ' A' ' 98' ' ' ALA . 0.0 OUTLIER -67.81 -26.84 66.28 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.497 0.763 . . . . 0.0 110.329 179.975 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 4.1 tp10 -50.73 -46.81 59.28 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.508 1.13 . . . . 0.0 110.272 179.991 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 103' ' ' LEU . . . . . 0.942 HD11 ' HG2' ' A' ' 40' ' ' LYS . 59.8 mt -42.94 -48.79 5.95 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.527 1.142 . . . . 0.0 109.358 179.987 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 104' ' ' PHE . . . . . . . . . . . . . 5.5 m-85 -104.82 63.66 0.72 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.553 1.158 . . . . 0.0 111.003 179.985 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 105' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -109.14 127.16 53.95 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.561 1.163 . . . . 0.0 111.006 179.986 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 3.3 m 62.43 116.71 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.544 1.153 . . . . 0.0 110.397 179.991 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -162.29 144.04 10.8 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.499 1.125 . . . . 0.0 109.271 -179.982 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -130.14 113.02 13.97 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.525 1.14 . . . . 0.0 110.298 -179.985 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -114.62 -59.04 2.07 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.454 1.097 . . . . 0.0 109.991 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 112.74 -163.63 12.13 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.471 1.107 . . . . 0.0 110.96 -179.992 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 111' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 175.45 11.21 Favored 'Trans proline' 0 C--N 1.361 1.212 0 O-C-N 124.459 1.768 . . . . 0.0 110.97 -179.985 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 35.1 t -157.19 131.47 8.45 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.466 1.104 . . . . 0.0 110.008 179.923 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -57.59 170.53 0.55 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.534 1.146 . . . . 0.0 109.956 -179.955 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.996 0 O-C-N 124.48 1.113 . . . . 0.0 111.016 179.991 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.949 0 N-CA-C 111.009 -0.837 . . . . 0.0 111.009 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -159.37 105.66 1.7 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.478 0.752 . . . . 0.0 110.037 179.964 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 58.0 p -139.49 168.15 20.47 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.492 1.12 . . . . 0.0 109.982 -179.949 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -167.49 -147.37 5.26 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.512 1.133 . . . . 0.0 110.995 179.975 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 88.8 p -141.47 164.12 31.09 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.512 0.772 . . . . 0.0 110.009 179.995 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -107.84 -27.1 10.43 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.502 1.126 . . . . 0.0 109.996 -179.981 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 93.1 80.18 1.45 Allowed Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.466 1.104 . . . . 0.0 110.972 179.936 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 31.3 m -131.42 146.67 62.97 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.475 0.75 . . . . 0.0 109.986 -179.968 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 136.89 20.92 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.486 1.782 . . . . 0.0 111.014 179.98 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 63.57 138.08 0.01 OUTLIER Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.524 1.14 . . . . 0.0 111.015 179.996 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 2.4 m120 -153.28 133.5 13.45 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.538 0.787 . . . . 0.0 109.295 -179.964 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 5.8 mtp180 62.24 159.35 0.07 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.508 1.13 . . . . 0.0 110.358 -179.985 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 6.9 tt0 65.93 62.03 0.62 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.508 1.13 . . . . 0.0 110.282 179.988 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -177.05 -74.01 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.467 1.105 . . . . 0.0 109.351 -179.973 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -99.97 170.31 8.6 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.521 1.138 . . . . 0.0 109.332 179.954 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 26.6 mt-10 47.55 87.96 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.492 1.12 . . . . 0.0 110.342 -179.971 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . 0.887 ' HE2' HD11 ' A' ' 95' ' ' ILE . 0.1 OUTLIER -109.92 147.22 33.81 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.444 1.09 . . . . 0.0 109.288 -179.96 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -95.88 128.78 43.06 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.497 1.123 . . . . 0.0 109.334 179.965 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . 0.701 HG22 ' O ' ' A' ' 93' ' ' ILE . 23.9 m -125.4 156.58 34.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.481 1.113 . . . . 0.0 109.32 -179.985 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 20' ' ' PHE . . . . . 0.603 ' CE1' ' OG1' ' A' ' 92' ' ' THR . 2.3 t80 -131.23 111.48 11.95 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.49 1.119 . . . . 0.0 110.951 -179.986 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 21' ' ' ILE . . . . . 0.645 HG23 HD23 ' A' ' 53' ' ' LEU . 1.1 mp -95.26 101.92 13.0 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.484 1.115 . . . . 0.0 109.31 -179.987 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . 0.678 ' O ' HD11 ' A' ' 53' ' ' LEU . 27.2 t -95.04 109.81 21.81 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.501 1.126 . . . . 0.0 109.952 -179.936 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.469 ' CD2' ' HA2' ' A' ' 28' ' ' GLY . 0.4 OUTLIER -83.66 71.85 10.36 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.474 1.109 . . . . 0.0 109.31 179.967 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 3.4 m -129.2 165.44 29.09 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 O-C-N 124.517 1.136 . . . . 0.0 109.286 -179.978 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 76.91 -92.24 1.02 Allowed Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.475 1.109 . . . . 0.0 111.007 179.973 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -162.41 74.77 0.42 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.436 0.727 . . . . 0.0 109.999 -179.991 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . 0.466 ' CZ ' ' O ' ' A' ' 51' ' ' GLY . 4.7 mtt180 -157.27 173.47 16.9 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.52 1.138 . . . . 0.0 110.314 179.994 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . 0.469 ' HA2' ' CD2' ' A' ' 23' ' ' LEU . . . -173.05 57.38 0.15 Allowed Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.461 1.1 . . . . 0.0 110.966 179.974 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . 0.564 HD12 HG12 ' A' ' 21' ' ' ILE . 0.5 OUTLIER 62.39 107.57 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.483 0.754 . . . . 0.0 109.309 -179.984 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . 0.428 ' O ' ' N ' ' A' ' 49' ' ' LYS . . . -101.65 40.87 2.28 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.489 1.118 . . . . 0.0 111.017 179.987 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 31' ' ' CYS . . . . . 0.487 ' HB3' HG22 ' A' ' 48' ' ' VAL . 27.9 p -139.05 142.48 38.2 Favored 'General case' 0 C--N 1.325 -0.48 0 N-CA-C 108.289 -1.004 . . . . 0.0 108.289 -179.98 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -88.14 133.25 34.05 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.48 1.113 . . . . 0.0 110.049 179.934 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 33' ' ' ILE . . . . . 0.42 HD11 ' CG2' ' A' ' 82' ' ' VAL . 9.7 pt -112.8 143.19 23.0 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.528 0 O-C-N 124.529 1.143 . . . . 0.0 109.287 -179.98 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -137.55 166.23 24.4 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.459 1.099 . . . . 0.0 109.998 -179.988 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 61.6 m -104.17 133.23 49.44 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.499 1.125 . . . . 0.0 109.934 -179.983 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -72.99 178.06 41.06 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.525 1.14 . . . . 0.0 111.013 179.954 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 -171.4 0.97 Allowed 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.519 1.8 . . . . 0.0 110.97 -179.969 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 5.4 tt -73.38 -30.14 29.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.543 1.152 . . . . 0.0 109.29 -179.959 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 16.7 pt20 -77.64 -29.77 51.84 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.483 1.115 . . . . 0.0 110.309 179.997 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . 0.622 ' HD3' HD11 ' A' ' 103' ' ' LEU . 22.6 tttp -137.77 62.53 35.03 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.505 1.128 . . . . 0.0 109.314 179.972 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 41' ' ' PRO . . . . . 0.457 ' HD3' ' N ' ' A' ' 40' ' ' LYS . 18.4 Cg_endo -75.01 146.99 33.26 Favored 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.517 1.799 . . . . 0.0 110.995 179.979 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 154.58 -168.04 32.65 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.528 1.142 . . . . 0.0 110.977 -179.966 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 43' ' ' ILE . . . . . 0.68 HG22 HD12 ' A' ' 65' ' ' ILE . 14.6 mm -117.47 115.19 47.88 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.531 0.783 . . . . 0.0 109.292 -179.994 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 44' ' ' PHE . . . . . 0.595 ' CD2' ' HB2' ' A' ' 64' ' ' GLN . 2.2 m-85 -123.88 157.82 33.34 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.472 1.108 . . . . 0.0 111.001 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 45' ' ' ILE . . . . . 0.595 ' O ' ' CZ ' ' A' ' 104' ' ' PHE . 20.4 mt -86.26 142.72 12.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.447 1.092 . . . . 0.0 109.31 -179.977 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . 0.49 ' HA ' ' CE1' ' A' ' 104' ' ' PHE . 1.0 OUTLIER -105.78 -37.4 6.72 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.485 1.116 . . . . 0.0 110.018 179.982 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 59.4 t-80 -151.28 166.44 30.94 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.483 1.114 . . . . 0.0 109.585 -179.976 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 48' ' ' VAL . . . . . 0.487 HG22 ' HB3' ' A' ' 31' ' ' CYS . 17.2 t -142.86 138.94 27.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.471 1.107 . . . . 0.0 109.275 -179.992 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . 0.428 ' N ' ' O ' ' A' ' 30' ' ' GLY . 11.1 mttt -88.39 155.59 51.37 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.519 1.137 . . . . 0.0 109.276 179.984 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 105.57 2.11 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.468 1.773 . . . . 0.0 111.032 179.957 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . 0.466 ' O ' ' CZ ' ' A' ' 27' ' ' ARG . . . 81.1 53.16 4.01 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.451 1.094 . . . . 0.0 110.97 179.976 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 52' ' ' SER . . . . . 0.561 ' H ' ' HB3' ' A' ' 55' ' ' ALA . 79.1 p -111.88 -171.4 1.84 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.518 0.775 . . . . 0.0 109.973 -179.968 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . 0.678 HD11 ' O ' ' A' ' 22' ' ' SER . 1.5 tp -68.99 -15.43 63.48 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.494 1.121 . . . . 0.0 109.261 -179.953 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . 0.616 ' O ' HG22 ' A' ' 57' ' ' VAL . 0.0 OUTLIER -94.1 -45.21 7.65 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.505 1.128 . . . . 0.0 109.987 -179.983 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . 0.561 ' HB3' ' H ' ' A' ' 52' ' ' SER . . . -66.53 -46.57 75.71 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.557 1.161 . . . . 0.0 109.31 179.989 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . 0.667 ' HG3' HG13 ' A' ' 57' ' ' VAL . 11.5 pt-20 -44.63 -33.25 1.74 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.519 1.137 . . . . 0.0 110.298 -179.99 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 57' ' ' VAL . . . . . 0.667 HG13 ' HG3' ' A' ' 56' ' ' GLU . 34.6 m -95.04 -25.77 4.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.516 1.135 . . . . 0.0 109.319 179.959 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 58' ' ' GLY . . . . . 0.445 ' N ' ' O ' ' A' ' 55' ' ' ALA . . . 102.96 36.27 3.47 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.515 1.134 . . . . 0.0 111.044 -179.967 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . 0.488 ' HG ' HG23 ' A' ' 57' ' ' VAL . 18.0 mt -81.7 138.26 35.27 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.505 0.767 . . . . 0.0 109.269 -179.981 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 46.0 mt-10 -134.55 167.42 20.82 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.519 1.137 . . . . 0.0 110.295 179.981 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 61' ' ' ILE . . . . . 0.468 ' O ' ' CG ' ' A' ' 101' ' ' ARG . 36.6 mt -56.93 135.62 20.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.506 1.129 . . . . 0.0 109.321 179.948 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 107.23 -31.36 8.19 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.481 1.113 . . . . 0.0 111.016 -179.987 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . 0.584 ' CG ' HD13 ' A' ' 95' ' ' ILE . 37.6 m-20 -54.2 97.54 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.499 0.764 . . . . 0.0 109.311 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 64' ' ' GLN . . . . . 0.595 ' HB2' ' CD2' ' A' ' 44' ' ' PHE . 36.1 tt0 -83.2 125.05 31.13 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.489 1.118 . . . . 0.0 110.254 -179.948 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 65' ' ' ILE . . . . . 0.68 HD12 HG22 ' A' ' 43' ' ' ILE . 20.0 mt -75.87 108.32 7.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.537 1.148 . . . . 0.0 109.302 179.938 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . 0.717 HG22 ' O ' ' A' ' 94' ' ' SER . 20.9 m -99.34 -21.37 5.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.502 1.126 . . . . 0.0 109.338 179.932 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . 0.426 ' C ' HG23 ' A' ' 68' ' ' VAL . 36.1 tt0 -153.26 153.02 31.84 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.536 1.148 . . . . 0.0 110.275 -179.984 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 68' ' ' VAL . . . . . 0.634 ' O ' HG23 ' A' ' 71' ' ' VAL . 94.3 t -152.64 115.38 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.529 1.143 . . . . 0.0 109.326 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 69' ' ' ASN . . . . . 0.861 ' ND2' HD23 ' A' ' 91' ' ' LEU . 1.0 OUTLIER 56.36 24.11 8.02 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.484 1.115 . . . . 0.0 109.285 -179.998 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 89.23 18.39 53.37 Favored Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.507 1.129 . . . . 0.0 110.969 179.968 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 71' ' ' VAL . . . . . 0.634 HG23 ' O ' ' A' ' 68' ' ' VAL . 86.6 t -93.63 158.68 2.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.535 0.785 . . . . 0.0 109.322 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 8.6 t0 -92.53 86.46 5.63 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.506 1.129 . . . . 0.0 109.293 -179.952 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 73' ' ' PHE . . . . . 0.812 ' CD1' HD12 ' A' ' 76' ' ' LEU . 4.6 m-85 -93.44 25.68 3.32 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.497 1.123 . . . . 0.0 111.021 -179.983 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -81.02 -34.93 32.5 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.5 1.125 . . . . 0.0 110.033 179.963 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 20.5 m120 -136.58 46.08 2.26 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.499 1.125 . . . . 0.0 109.297 179.995 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 76' ' ' LEU . . . . . 0.812 HD12 ' CD1' ' A' ' 73' ' ' PHE . 6.3 mt -84.72 -166.83 1.58 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.469 1.106 . . . . 0.0 109.32 -179.985 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 39.0 t70 -132.65 170.21 15.55 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.499 1.124 . . . . 0.0 109.285 179.999 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 78' ' ' HIS . . . . . . . . . . . . . 64.3 t-80 -71.39 -6.18 38.26 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.453 1.096 . . . . 0.0 109.583 179.996 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 18.0 mttt -109.39 -37.06 5.84 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.472 1.107 . . . . 0.0 109.34 179.97 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 80' ' ' GLU . . . . . 0.703 ' CB ' HD22 ' A' ' 76' ' ' LEU . 9.4 mt-10 -77.91 -36.3 49.64 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.522 1.138 . . . . 0.0 110.262 -179.979 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 81' ' ' ALA . . . . . 0.438 ' HA ' HD13 ' A' ' 76' ' ' LEU . . . -72.02 -31.89 66.63 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.557 1.161 . . . . 0.0 109.289 -179.976 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 82' ' ' VAL . . . . . 0.817 HG12 ' CE ' ' A' ' 86' ' ' LYS . 21.0 t -81.19 -40.2 18.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.52 1.138 . . . . 0.0 109.299 -179.983 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 36.1 t30 -62.03 -42.97 99.74 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.496 1.122 . . . . 0.0 109.289 179.989 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 84' ' ' VAL . . . . . 0.496 HG23 ' O ' ' A' ' 80' ' ' GLU . 78.5 t -73.99 -30.46 27.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.451 1.094 . . . . 0.0 109.276 -179.968 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 19.0 mt -76.85 -31.08 56.61 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.527 1.142 . . . . 0.0 109.259 -179.96 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 86' ' ' LYS . . . . . 0.817 ' CE ' HG12 ' A' ' 82' ' ' VAL . 8.9 ptpt -94.03 -9.37 37.01 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.488 1.118 . . . . 0.0 109.312 -179.99 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -53.62 -62.72 1.47 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.513 1.133 . . . . 0.0 109.983 -179.95 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 88' ' ' SER . . . . . 0.831 ' O ' HD11 ' A' ' 91' ' ' LEU . 0.2 OUTLIER -120.86 164.91 15.93 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.499 1.124 . . . . 0.0 109.973 179.993 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 89' ' ' ARG . . . . . 0.468 ' CA ' ' HB2' ' A' ' 23' ' ' LEU . 50.9 mmt-85 -74.06 -64.65 0.97 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.518 1.137 . . . . 0.0 110.284 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 1.1 m -81.25 122.44 27.42 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.546 1.154 . . . . 0.0 109.975 -179.96 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 91' ' ' LEU . . . . . 0.861 HD23 ' ND2' ' A' ' 69' ' ' ASN . 1.0 OUTLIER -140.94 149.21 41.56 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.521 1.138 . . . . 0.0 109.277 179.996 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 92' ' ' THR . . . . . 0.603 ' OG1' ' CE1' ' A' ' 20' ' ' PHE . 16.0 m -104.78 100.9 10.53 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.525 1.141 . . . . 0.0 110.424 179.971 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 93' ' ' ILE . . . . . 0.701 ' O ' HG22 ' A' ' 19' ' ' VAL . 22.7 mt -89.19 141.2 14.64 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.481 1.113 . . . . 0.0 109.308 -179.993 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 94' ' ' SER . . . . . 0.717 ' O ' HG22 ' A' ' 66' ' ' VAL . 0.3 OUTLIER -121.26 103.63 9.13 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.465 1.103 . . . . 0.0 110.007 -179.981 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 95' ' ' ILE . . . . . 0.887 HD11 ' HE2' ' A' ' 17' ' ' LYS . 1.1 pt -100.1 166.86 2.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.508 1.13 . . . . 0.0 109.33 179.994 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 96' ' ' VAL . . . . . 0.899 ' HB ' ' HB2' ' A' ' 99' ' ' ALA . 71.0 t -108.28 31.5 0.96 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.491 1.119 . . . . 0.0 109.263 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 97' ' ' ALA . . . . . 0.606 ' H ' HD12 ' A' ' 95' ' ' ILE . . . 47.27 96.04 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.557 1.16 . . . . 0.0 109.313 -179.976 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 98' ' ' ALA . . . . . 0.489 ' HB1' ' HG3' ' A' ' 101' ' ' ARG . . . 45.78 58.09 4.59 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.574 1.171 . . . . 0.0 109.299 179.994 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 99' ' ' ALA . . . . . 0.899 ' HB2' ' HB ' ' A' ' 96' ' ' VAL . . . -64.09 -61.54 2.2 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.439 1.087 . . . . 0.0 109.295 -179.962 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . -111.53 60.0 0.35 Allowed Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.509 1.13 . . . . 0.0 110.988 179.97 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 101' ' ' ARG . . . . . 0.489 ' HG3' ' HB1' ' A' ' 98' ' ' ALA . 0.0 OUTLIER -72.06 -24.9 61.59 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.539 0.787 . . . . 0.0 110.3 179.965 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -70.48 -22.73 62.64 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.459 1.1 . . . . 0.0 110.301 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 103' ' ' LEU . . . . . 0.622 HD11 ' HD3' ' A' ' 40' ' ' LYS . 21.1 mt -61.86 -21.71 64.91 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.534 1.146 . . . . 0.0 109.264 179.963 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 104' ' ' PHE . . . . . 0.595 ' CZ ' ' O ' ' A' ' 45' ' ' ILE . 56.9 m-85 -118.51 48.21 1.48 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.531 1.144 . . . . 0.0 110.998 179.989 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 105' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -73.55 103.73 4.26 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.562 1.164 . . . . 0.0 111.016 179.993 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 22.7 m 60.45 152.29 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.487 1.117 . . . . 0.0 110.422 -179.971 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 3.3 p30 -176.86 155.67 1.27 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.537 1.148 . . . . 0.0 109.284 179.998 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -105.82 145.36 31.29 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.528 1.142 . . . . 0.0 110.311 179.949 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 9.6 t -152.16 107.75 3.33 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.483 1.115 . . . . 0.0 110.003 -179.961 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . -125.76 -174.35 13.88 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.493 1.12 . . . . 0.0 110.997 179.989 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 111' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 159.23 41.58 Favored 'Trans proline' 0 C--N 1.361 1.198 0 O-C-N 124.469 1.773 . . . . 0.0 111.014 179.96 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 26.1 p -171.04 132.81 0.85 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.494 1.121 . . . . 0.0 109.981 -179.985 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 14.7 m -160.57 123.33 3.3 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.522 1.139 . . . . 0.0 110.002 179.963 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.025 0 O-C-N 124.515 1.135 . . . . 0.0 110.999 -179.98 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.992 0 N-CA-C 111.035 -0.826 . . . . 0.0 111.035 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 46.7 t -168.74 99.69 0.39 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.531 0.783 . . . . 0.0 110.001 179.995 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 33.2 p -127.39 150.07 49.79 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.506 1.129 . . . . 0.0 109.999 -180.0 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 143.86 177.04 18.44 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.486 1.116 . . . . 0.0 111.0 179.973 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 61.55 101.1 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.529 0.782 . . . . 0.0 110.038 -179.945 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -109.75 -27.2 9.45 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.513 1.133 . . . . 0.0 109.941 -179.955 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 65.44 139.89 0.03 OUTLIER Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.508 1.13 . . . . 0.0 111.052 -179.975 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 4.6 t -125.11 147.42 57.03 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.465 0.744 . . . . 0.0 109.981 -179.966 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.93 -177.54 3.52 Favored 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.473 1.775 . . . . 0.0 111.021 179.993 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -170.18 88.2 0.09 OUTLIER Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.533 1.146 . . . . 0.0 110.988 -179.988 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 19.4 m120 -153.13 130.87 11.6 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.47 0.747 . . . . 0.0 109.273 179.989 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 8.9 tmm_? -179.03 119.99 0.07 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.452 1.095 . . . . 0.0 110.293 179.975 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -125.72 -64.39 1.06 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.424 1.077 . . . . 0.0 110.319 179.998 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -45.19 168.26 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.546 1.154 . . . . 0.0 109.311 179.97 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . 0.434 ' O ' ' C ' ' A' ' 96' ' ' VAL . 3.5 tptm -90.85 109.6 20.81 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.492 1.12 . . . . 0.0 109.316 179.985 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -115.23 144.37 43.82 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.501 1.126 . . . . 0.0 110.317 179.984 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . 0.419 ' CG ' HG13 ' A' ' 95' ' ' ILE . 0.0 OUTLIER -132.43 143.83 50.07 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.507 1.129 . . . . 0.0 109.363 179.971 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -100.82 112.03 24.36 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.473 1.108 . . . . 0.0 109.298 -179.95 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . 0.681 HG23 ' HB ' ' A' ' 93' ' ' ILE . 3.6 m -117.37 130.25 72.56 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.523 1.139 . . . . 0.0 109.292 -179.971 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 20' ' ' PHE . . . . . 0.415 ' CD1' ' O ' ' A' ' 91' ' ' LEU . 0.1 OUTLIER -108.11 110.28 21.9 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.443 1.089 . . . . 0.0 110.995 179.977 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 20.6 mm -97.01 121.05 47.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.435 1.084 . . . . 0.0 109.261 -179.964 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . 0.704 ' O ' HD11 ' A' ' 53' ' ' LEU . 82.6 p -118.7 119.54 34.76 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.546 1.154 . . . . 0.0 109.996 -179.993 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.413 HD11 ' H ' ' A' ' 29' ' ' LEU . 4.4 mm? -91.31 53.5 2.33 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.523 1.14 . . . . 0.0 109.276 -179.97 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 3.6 m -123.37 167.6 16.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.505 1.128 . . . . 0.0 109.316 179.952 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 49.04 -172.55 0.06 OUTLIER Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.492 1.12 . . . . 0.0 111.008 -179.99 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 54.5 m -68.18 79.59 0.24 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.506 0.768 . . . . 0.0 110.005 179.953 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -170.77 106.22 0.27 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.465 1.103 . . . . 0.0 110.3 179.956 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -114.74 149.57 18.81 Favored Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.478 1.111 . . . . 0.0 110.977 -179.983 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . 0.662 HD11 ' SG ' ' A' ' 31' ' ' CYS . 1.1 tp -61.53 149.0 40.27 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.526 0.78 . . . . 0.0 109.303 179.97 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -146.45 31.24 1.54 Allowed Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.516 1.135 . . . . 0.0 110.962 179.994 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 31' ' ' CYS . . . . . 0.662 ' SG ' HD11 ' A' ' 29' ' ' LEU . 26.5 p -119.27 147.13 44.63 Favored 'General case' 0 C--N 1.324 -0.51 0 N-CA-C 108.312 -0.995 . . . . 0.0 108.312 179.945 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -109.45 135.44 50.48 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.52 1.137 . . . . 0.0 109.983 -179.971 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 33' ' ' ILE . . . . . 0.424 HD11 ' CG2' ' A' ' 82' ' ' VAL . 14.9 pt -104.66 152.65 6.7 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 O-C-N 124.505 1.128 . . . . 0.0 109.281 -179.945 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . 0.423 ' HG ' ' HZ ' ' A' ' 104' ' ' PHE . 59.1 p -132.42 159.21 39.95 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.509 1.131 . . . . 0.0 109.967 -179.96 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 24.3 p -88.1 147.93 24.7 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.5 1.125 . . . . 0.0 110.025 179.984 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -104.08 160.4 16.02 Favored Glycine 0 CA--C 1.53 0.969 0 O-C-N 124.496 1.123 . . . . 0.0 110.985 -179.97 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 -166.64 0.36 Allowed 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.504 1.792 . . . . 0.0 110.978 -179.96 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 38' ' ' ILE . . . . . 0.423 HG22 ' H ' ' A' ' 38' ' ' ILE . 0.8 OUTLIER -76.65 -30.48 18.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.524 1.14 . . . . 0.0 109.307 179.996 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 7.7 pt20 -79.29 -28.31 42.24 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.489 1.118 . . . . 0.0 110.281 -179.996 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . 0.731 ' HG2' HD11 ' A' ' 103' ' ' LEU . 0.0 OUTLIER -136.22 61.26 38.3 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.533 1.145 . . . . 0.0 109.298 -179.972 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 41' ' ' PRO . . . . . 0.474 ' HD3' ' N ' ' A' ' 40' ' ' LYS . 18.4 Cg_endo -74.97 146.72 33.12 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.5 1.79 . . . . 0.0 111.037 179.984 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 138.09 -168.67 24.5 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.492 1.12 . . . . 0.0 111.001 -179.982 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 43' ' ' ILE . . . . . 0.663 HG22 HD12 ' A' ' 65' ' ' ILE . 14.4 mm -109.85 123.99 66.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.475 0.75 . . . . 0.0 109.295 -179.991 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 44' ' ' PHE . . . . . 0.575 ' CD2' ' HB2' ' A' ' 64' ' ' GLN . 1.4 m-85 -129.67 139.83 51.29 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.483 1.115 . . . . 0.0 110.991 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 45' ' ' ILE . . . . . 0.608 ' O ' ' CZ ' ' A' ' 104' ' ' PHE . 8.6 mt -63.88 147.21 12.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.48 1.113 . . . . 0.0 109.298 179.954 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 1.5 p -117.17 -37.62 3.51 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.492 1.12 . . . . 0.0 110.026 179.978 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 47' ' ' HIS . . . . . 0.446 ' O ' ' HA ' ' A' ' 31' ' ' CYS . 57.3 t-80 -158.96 147.68 18.4 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.493 1.121 . . . . 0.0 109.613 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 48' ' ' VAL . . . . . 0.496 HG21 ' HB2' ' A' ' 54' ' ' SER . 2.5 p -150.69 131.52 4.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.535 1.147 . . . . 0.0 109.282 179.978 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . 0.405 ' O ' ' HB2' ' A' ' 55' ' ' ALA . 0.9 OUTLIER -67.5 142.52 96.39 Favored Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.457 1.098 . . . . 0.0 109.325 180.0 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 55.33 3.9 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.497 1.788 . . . . 0.0 111.016 179.979 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 158.91 42.63 0.02 OUTLIER Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.48 1.113 . . . . 0.0 110.984 179.995 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 52' ' ' SER . . . . . 0.626 ' H ' ' HB3' ' A' ' 55' ' ' ALA . 26.6 p -108.43 -152.01 0.48 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.55 0.794 . . . . 0.0 110.032 -179.998 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . 0.704 HD11 ' O ' ' A' ' 22' ' ' SER . 0.8 OUTLIER -86.83 -20.6 27.28 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.506 1.129 . . . . 0.0 109.274 179.985 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . 0.643 ' HB3' HD12 ' A' ' 59' ' ' LEU . 0.7 OUTLIER -94.66 -30.93 14.07 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.469 1.106 . . . . 0.0 110.028 179.962 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . 0.626 ' HB3' ' H ' ' A' ' 52' ' ' SER . . . -70.36 -19.88 63.01 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.491 1.12 . . . . 0.0 109.307 179.975 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . 0.474 ' CG ' ' O ' ' A' ' 53' ' ' LEU . 2.3 pt-20 -78.01 -33.67 51.11 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.563 1.164 . . . . 0.0 110.309 179.988 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 57' ' ' VAL . . . . . 0.512 ' CG2' ' HG ' ' A' ' 59' ' ' LEU . 0.9 OUTLIER -83.68 -23.91 7.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.478 1.111 . . . . 0.0 109.297 -179.963 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 100.86 39.09 3.22 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.436 1.085 . . . . 0.0 110.957 179.954 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . 0.643 HD12 ' HB3' ' A' ' 54' ' ' SER . 13.4 mt -84.8 148.71 26.18 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.505 0.768 . . . . 0.0 109.368 179.943 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 33.8 mt-10 -145.47 162.87 36.33 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.505 1.128 . . . . 0.0 110.318 -179.993 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 61' ' ' ILE . . . . . 0.444 ' O ' ' NH1' ' A' ' 101' ' ' ARG . 42.5 mt -56.05 124.25 8.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.532 1.145 . . . . 0.0 109.312 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 121.27 -38.64 2.6 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.447 1.092 . . . . 0.0 111.022 -179.942 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . 0.709 ' HB3' HD13 ' A' ' 95' ' ' ILE . 92.1 m-20 -48.04 98.0 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.514 0.773 . . . . 0.0 109.275 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 64' ' ' GLN . . . . . 0.636 ' HB3' ' HB3' ' A' ' 99' ' ' ALA . 5.1 tt0 -83.11 134.4 35.0 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.477 1.11 . . . . 0.0 110.312 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 65' ' ' ILE . . . . . 0.745 HG23 HG23 ' A' ' 93' ' ' ILE . 7.2 mt -88.51 110.62 21.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.483 1.114 . . . . 0.0 109.316 179.974 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . 0.729 HG22 ' O ' ' A' ' 94' ' ' SER . 19.4 m -100.67 -21.65 5.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.48 1.112 . . . . 0.0 109.271 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . 0.451 ' HG2' ' N ' ' A' ' 68' ' ' VAL . 48.6 tt0 -150.69 152.77 34.43 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.52 1.138 . . . . 0.0 110.3 179.958 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 68' ' ' VAL . . . . . 0.708 ' O ' HG23 ' A' ' 71' ' ' VAL . 85.0 t -152.6 121.34 0.76 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.494 1.121 . . . . 0.0 109.255 -179.93 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 69' ' ' ASN . . . . . 0.868 ' ND2' HD23 ' A' ' 91' ' ' LEU . 1.1 t-20 49.69 28.81 2.8 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.513 1.133 . . . . 0.0 109.3 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 84.37 24.67 46.34 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.485 1.115 . . . . 0.0 110.987 179.986 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 71' ' ' VAL . . . . . 0.708 HG23 ' O ' ' A' ' 68' ' ' VAL . 94.9 t -99.56 158.99 3.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.505 0.767 . . . . 0.0 109.261 -179.982 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 6.1 t0 -94.65 88.9 5.56 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.419 1.075 . . . . 0.0 109.286 179.981 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 73' ' ' PHE . . . . . 0.825 ' CD1' HD12 ' A' ' 76' ' ' LEU . 4.5 m-85 -93.97 12.78 24.96 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.492 1.12 . . . . 0.0 110.957 -179.976 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -64.04 -37.05 86.02 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.498 1.124 . . . . 0.0 109.963 -179.971 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 54.9 m-80 -141.1 55.8 1.55 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.498 1.124 . . . . 0.0 109.295 -179.998 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 76' ' ' LEU . . . . . 0.825 HD12 ' CD1' ' A' ' 73' ' ' PHE . 5.6 mt -88.97 -166.17 1.53 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.479 1.112 . . . . 0.0 109.299 -179.989 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 20.4 t70 -129.93 169.01 15.77 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.493 1.121 . . . . 0.0 109.323 179.996 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 78' ' ' HIS . . . . . . . . . . . . . 64.9 t-80 -70.97 -6.61 40.03 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.502 1.126 . . . . 0.0 109.618 179.961 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 4.7 mttm -110.1 -37.88 5.46 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.522 1.139 . . . . 0.0 109.323 179.994 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 80' ' ' GLU . . . . . 0.703 ' CB ' HD22 ' A' ' 76' ' ' LEU . 12.2 mt-10 -76.31 -34.92 59.03 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.56 1.162 . . . . 0.0 110.28 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 81' ' ' ALA . . . . . 0.472 ' HA ' HD13 ' A' ' 76' ' ' LEU . . . -72.73 -35.93 67.64 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.434 1.084 . . . . 0.0 109.28 -179.988 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 82' ' ' VAL . . . . . 0.821 HG12 ' CE ' ' A' ' 86' ' ' LYS . 45.7 t -78.83 -36.15 18.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.499 1.124 . . . . 0.0 109.287 179.997 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 83' ' ' ASN . . . . . 0.43 ' O ' ' N ' ' A' ' 87' ' ' SER . 20.1 t30 -64.19 -47.15 80.89 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.51 1.131 . . . . 0.0 109.36 -180.0 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 84' ' ' VAL . . . . . 0.537 HG11 HG21 ' A' ' 71' ' ' VAL . 77.8 t -68.51 -30.57 47.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.494 1.121 . . . . 0.0 109.288 179.971 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 23.4 mt -76.25 -40.18 52.55 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.531 1.144 . . . . 0.0 109.263 -179.974 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 86' ' ' LYS . . . . . 0.821 ' CE ' HG12 ' A' ' 82' ' ' VAL . 9.2 ptpt -86.49 -5.92 59.03 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.528 1.142 . . . . 0.0 109.339 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 87' ' ' SER . . . . . 0.43 ' N ' ' O ' ' A' ' 83' ' ' ASN . 0.2 OUTLIER -57.22 -52.26 66.03 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.486 1.116 . . . . 0.0 110.023 -179.987 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 88' ' ' SER . . . . . 0.656 ' O ' HD11 ' A' ' 91' ' ' LEU . 0.2 OUTLIER -133.87 176.04 8.93 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.503 1.127 . . . . 0.0 109.987 179.962 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 5.9 mmt180 -86.91 -60.33 2.01 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.522 1.139 . . . . 0.0 110.277 -179.977 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -81.53 116.21 21.2 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.493 1.121 . . . . 0.0 110.015 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 91' ' ' LEU . . . . . 0.868 HD23 ' ND2' ' A' ' 69' ' ' ASN . 1.0 OUTLIER -139.93 149.27 43.11 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.561 1.163 . . . . 0.0 109.31 -179.992 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 92' ' ' THR . . . . . 0.403 ' O ' ' N ' ' A' ' 69' ' ' ASN . 20.8 m -106.1 103.5 12.99 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.47 1.106 . . . . 0.0 110.384 -179.981 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 93' ' ' ILE . . . . . 0.745 HG23 HG23 ' A' ' 65' ' ' ILE . 18.6 mt -89.68 139.41 17.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.445 1.091 . . . . 0.0 109.252 -179.981 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 94' ' ' SER . . . . . 0.729 ' O ' HG22 ' A' ' 66' ' ' VAL . 0.6 OUTLIER -123.53 100.54 6.86 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.535 1.147 . . . . 0.0 109.962 -179.983 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 95' ' ' ILE . . . . . 0.709 HD13 ' HB3' ' A' ' 63' ' ' ASP . 1.8 pt -100.19 174.27 0.99 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.478 1.111 . . . . 0.0 109.334 179.959 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 96' ' ' VAL . . . . . 0.865 ' HB ' ' HB2' ' A' ' 99' ' ' ALA . 76.9 t -112.31 34.45 0.89 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.491 1.119 . . . . 0.0 109.296 -179.963 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . 45.91 93.94 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.502 1.126 . . . . 0.0 109.324 -179.984 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 98' ' ' ALA . . . . . 0.67 ' HB1' ' HG3' ' A' ' 101' ' ' ARG . . . 48.16 57.12 6.45 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.506 1.129 . . . . 0.0 109.327 -179.978 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 99' ' ' ALA . . . . . 0.865 ' HB2' ' HB ' ' A' ' 96' ' ' VAL . . . -61.15 -67.99 0.35 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.483 1.115 . . . . 0.0 109.328 -179.968 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . -102.71 57.34 0.6 Allowed Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.514 1.134 . . . . 0.0 111.007 179.986 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 101' ' ' ARG . . . . . 0.67 ' HG3' ' HB1' ' A' ' 98' ' ' ALA . 0.0 OUTLIER -66.2 -33.81 76.61 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.483 0.755 . . . . 0.0 110.285 -179.996 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 14.0 pt-20 -49.95 -41.24 46.08 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.509 1.131 . . . . 0.0 110.324 -179.975 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 103' ' ' LEU . . . . . 0.731 HD11 ' HG2' ' A' ' 40' ' ' LYS . 63.9 mt -41.31 -42.82 2.29 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.499 1.124 . . . . 0.0 109.319 179.981 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 104' ' ' PHE . . . . . 0.608 ' CZ ' ' O ' ' A' ' 45' ' ' ILE . 19.2 m-85 -110.27 54.52 0.67 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.494 1.121 . . . . 0.0 111.009 179.998 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 105' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -97.62 55.81 1.25 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.522 1.139 . . . . 0.0 111.013 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 106' ' ' THR . . . . . 0.436 ' O ' ' N ' ' A' ' 108' ' ' ARG . 35.9 p -77.27 -41.77 39.62 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.448 1.093 . . . . 0.0 110.374 -179.977 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER 62.75 -82.04 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.502 1.126 . . . . 0.0 109.313 -179.972 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 108' ' ' ARG . . . . . 0.436 ' N ' ' O ' ' A' ' 106' ' ' THR . 4.1 ttp180 -40.86 136.45 1.43 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.508 1.13 . . . . 0.0 110.305 179.975 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 45.5 t -111.98 -60.13 1.9 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.53 1.144 . . . . 0.0 109.998 -179.982 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 81.76 175.63 50.49 Favored Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.489 1.118 . . . . 0.0 111.01 179.999 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 111' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.96 103.77 1.79 Allowed 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.466 1.772 . . . . 0.0 110.996 -179.971 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 30.6 t -157.46 -60.89 0.09 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.492 1.12 . . . . 0.0 110.006 179.991 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 1.9 t 75.72 -58.69 0.54 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.523 1.14 . . . . 0.0 110.022 -179.97 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.012 0 O-C-N 124.508 1.13 . . . . 0.0 111.012 179.975 . . . . . . . . 0 0 . 1 stop_ save_